2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Openeye Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Traditional Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-1-mesityl-ethanone Formula: C24H24N4OS MolecularWeight: 416.53856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4OS/c1-14-10-15(2)22(16(3)11-14)21(29)13-30-24-27-26-23(28(24)17-8-9-17)19-12-25-20-7-5-4-6-18(19)20/h4-7,10-12,17,26H,8-9,13H2,1-3H3