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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O2S/c1-3-16-29-25(22-10-7-11-23(17-22)31-2)27-28-26(29)32-18-24(30)21-14-12-20(13-15-21)19-8-5-4-6-9-19/h3-15,17H,1,16,18H2,2H3