3-(2-nitro-4-pentan-3-yl-phenyl)sulfanyl-4-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(2-nitro-4-pentan-3-yl-phenyl)sulfanyl-4-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[4-(1-ethylpropyl)-2-nitro-phenyl]sulfanyl-4-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-nitro-4-pentan-3-ylphenyl)thio]-4-[4-(1-pyrrolidinyl)-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-(2-nitro-4-pentan-3-ylphenyl)sulfanyl-4-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[[4-(1-ethylpropyl)-2-nitro-phenyl]thio]-4-[4-pyrrolidino-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Formula: C24H26F3N5O3S MolecularWeight: 521.55515

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC(=C(C=C1)SC2=NNC(=O)N2C3=C(C=C(C=C3)N4CCCC4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C1=CC(=C(C=C1)SC2=NNC(=O)N2C3=C(C=C(C=C3)N4CCCC4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H26F3N5O3S/c1-3-15(4-2)16-7-10-21(20(13-16)32(34)35)36-23-29-28-22(33)31(23)19-9-8-17(30-11-5-6-12-30)14-18(19)24(25,26)27/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,28,33)