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

Systemtic Name: 3-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-2-14-8-10-16(11-9-14)17(23)13-25-19-21-20-18(24)22(19)12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,20,24)