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

Systemtic Name: 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone Formula: C26H23N3OS MolecularWeight: 425.54532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3OS/c1-3-17-29-25(23-12-8-7-9-19(23)2)27-28-26(29)31-18-24(30)22-15-13-21(14-16-22)20-10-5-4-6-11-20/h3-16H,1,17-18H2,2H3