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

Systemtic Name: 3-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(5-methyl-2-thienyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-keto-2-(5-methyl-2-thienyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S2/c1-11-7-8-14(23-11)13(20)10-22-16-18-17-15(21)19(16)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,21)