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

Systemtic Name: (2R)-2-[[5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2R)-2-[[5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2R)-2-[[5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2R)-2-[[5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2R)-2-[[5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C23H22N4OS MolecularWeight: 402.51198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SC5CCCCC5=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2S[C@@H]5CCCCC5=O

InChI

InChI=1S/C23H22N4OS/c1-15-7-6-8-16(13-15)27-22(18-14-24-19-10-3-2-9-17(18)19)25-26-23(27)29-21-12-5-4-11-20(21)28/h2-3,6-10,13-14,21,25H,4-5,11-12H2,1H3/t21-/m1/s1