(3R)-1-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]acetyl]nipecotamide Formula: C21H24N6O2S MolecularWeight: 424.51926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)C(=O)N

InChI

InChI=1S/C21H24N6O2S/c22-19(29)13-4-3-9-26(11-13)18(28)12-30-21-25-24-20(27(21)14-7-8-14)16-10-23-17-6-2-1-5-15(16)17/h1-2,5-6,10,13-14,24H,3-4,7-9,11-12H2,(H2,22,29)/t13-/m1/s1