1-(4-methoxyphenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 1-(4-methoxyphenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-23-15-9-7-14(8-10-15)16(22)12-24-18-19-17(20-21-18)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,20,21)