3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-24-15-9-5-8-14(10-15)16(22)12-25-18-20-19-17(23)21(18)11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,19,23)