2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone

Systemtic Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone Openeye Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone CAS Name: 2-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethylphenyl)ethanone IUPAC Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone Traditional Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethylphenyl)ethanone Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5

InChI

InChI=1S/C23H22N4OS/c1-14-7-8-15(2)18(11-14)21(28)13-29-23-26-25-22(27(23)16-9-10-16)19-12-24-20-6-4-3-5-17(19)20/h3-8,11-12,16,25H,9-10,13H2,1-2H3/b22-19-