(2S)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide

Systemtic Name: (2S)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2S)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide CAS Name: (2S)-N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: (2S)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2S)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-methyl-propionamide Formula: C24H28N6OS MolecularWeight: 448.58372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C24H28N6OS/c1-16(22(31)29(2)24(15-25)12-6-3-7-13-24)32-23-28-27-21(30(23)17-10-11-17)19-14-26-20-9-5-4-8-18(19)20/h4-5,8-9,14,16-17,27H,3,6-7,10-13H2,1-2H3/t16-/m0/s1