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

Systemtic Name: 3-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)C3=CC=CN3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)C3=CC=CN3

InChI

InChI=1S/C16H16N4O2S/c21-14(13-7-4-9-17-13)11-23-16-19-18-15(22)20(16)10-8-12-5-2-1-3-6-12/h1-7,9,17H,8,10-11H2,(H,18,22)