2-[3-[(5-chloranylthiophen-3-yl)methylsulfanyl]-6-ethyl-5-oxidanylidene-1,2,4-triazin-2-yl]-N-(1-methylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide; methanoic acid

Systemtic Name: 2-[3-[(5-chloranylthiophen-3-yl)methylsulfanyl]-6-ethyl-5-oxidanylidene-1,2,4-triazin-2-yl]-N-(1-methylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide; methanoic acid Openeye Name: 2-[3-[(5-chloro-3-thienyl)methylsulfanyl]-6-ethyl-5-oxo-1,2,4-triazin-2-yl]-N-(1-methyl-4-piperidyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide; formic acid CAS Name: 2-[3-[(5-chloro-3-thiophenyl)methylthio]-6-ethyl-5-oxo-1,2,4-triazin-2-yl]-N-(1-methyl-4-piperidinyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide; formic acid IUPAC Name: 2-[3-[(5-chlorothiophen-3-yl)methylsulfanyl]-6-ethyl-5-oxo-1,2,4-triazin-2-yl]-N-(1-methylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide; formic acid Traditional Name: 2-[3-[(5-chloro-3-thienyl)methylthio]-6-ethyl-5-keto-1,2,4-triazin-2-yl]-N-(1-methyl-4-piperidyl)-N-[4-[4-(trifluoromethyl)phenyl]benzyl]acetamide; formic acid Formula: C33H35ClF3N5O4S2 MolecularWeight: 722.24031

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=NC1=O)SCC2=CSC(=C2)Cl)CC(=O)N(CC3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F)C5CCN(CC5)C.C(=O)O

Isomeric SMILES

CCC1=NN(C(=NC1=O)SCC2=CSC(=C2)Cl)CC(=O)N(CC3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F)C5CCN(CC5)C.C(=O)O

InChI

InChI=1S/C32H33ClF3N5O2S2.CH2O2/c1-3-27-30(43)37-31(45-20-22-16-28(33)44-19-22)41(38-27)18-29(42)40(26-12-14-39(2)15-13-26)17-21-4-6-23(7-5-21)24-8-10-25(11-9-24)32(34,35)36;2-1-3/h4-11,16,19,26H,3,12-15,17-18,20H2,1-2H3;1H,(H,2,3)