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

Systemtic Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: 2-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(2,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)-2-phenylacetamide Traditional Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]-N-(2,5-dimethylphenyl)-2-phenyl-acetamide Formula: C29H27N5OS MolecularWeight: 493.62258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NN/C(=C/4\C=NC5=CC=CC=C54)/N3C6CC6

InChI

InChI=1S/C29H27N5OS/c1-18-12-13-19(2)25(16-18)31-28(35)26(20-8-4-3-5-9-20)36-29-33-32-27(34(29)21-14-15-21)23-17-30-24-11-7-6-10-22(23)24/h3-13,16-17,21,26,32H,14-15H2,1-2H3,(H,31,35)/b27-23-