1-(1-methyl-2-phenyl-indol-3-yl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methyl-2-phenyl-indol-3-yl)ethanone CAS Name: 1-(1-methyl-2-phenyl-3-indolyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-methyl-2-phenylindol-3-yl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-(1-methyl-2-phenyl-indol-3-yl)ethanone Formula: C29H26N4OS MolecularWeight: 478.60794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4OS/c1-4-17-33-28(22-14-10-11-20(2)18-22)30-31-29(33)35-19-25(34)26-23-15-8-9-16-24(23)32(3)27(26)21-12-6-5-7-13-21/h4-16,18H,1,17,19H2,2-3H3