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

Systemtic Name: 3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-oxo-2-thiophen-2-ylethyl)thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-keto-2-(2-thienyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC(=O)C3=CC=CS3

InChI

InChI=1S/C15H13N3O2S2/c19-12(13-7-4-8-21-13)10-22-15-17-16-14(20)18(15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,20)