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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

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