(2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: (2S)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]cyclohexanone Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C19H20N4OS/c24-16-7-3-4-8-17(16)25-19-22-21-18(23(19)12-9-10-12)14-11-20-15-6-2-1-5-13(14)15/h1-2,5-6,11-12,17,21H,3-4,7-10H2/t17-/m0/s1