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

Systemtic Name: 3-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC(=O)C3=CC=CN3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC(=O)C3=CC=CN3

InChI

InChI=1S/C15H14N4O2S/c20-13(12-7-4-8-16-12)10-22-15-18-17-14(21)19(15)9-11-5-2-1-3-6-11/h1-8,16H,9-10H2,(H,17,21)