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

Systemtic Name: 3-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-oxo-2-thiophen-2-ylethyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(2-thienyl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)C3=CC=CS3

InChI

InChI=1S/C16H15N3O2S2/c20-13(14-7-4-10-22-14)11-23-16-18-17-15(21)19(16)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,17,21)