N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-methyl-4-pyrrolidino-phenyl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H34N6OS MolecularWeight: 490.66346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4)N5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4)N5CCCC5

InChI

InChI=1S/C27H34N6OS/c1-21-18-22(12-13-24(21)32-16-8-9-17-32)28-26(34)20-35-27-30-29-25(19-31-14-6-3-7-15-31)33(27)23-10-4-2-5-11-23/h2,4-5,10-13,18H,3,6-9,14-17,19-20H2,1H3,(H,28,34)