1-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[(5Z)-5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1C4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-22(2,3)19(27)14-28-21-25-24-20(26(21)15-9-5-4-6-10-15)17-13-23-18-12-8-7-11-16(17)18/h4-13,24H,14H2,1-3H3/b20-17-