2-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C3C=CC(=O)C=C3)NN=C2SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C3C=CC(=O)C=C3)NN=C2SCC(=O)N

InChI

InChI=1S/C16H14N4O2S/c17-14(22)10-23-16-19-18-15(11-6-8-13(21)9-7-11)20(16)12-4-2-1-3-5-12/h1-9,18H,10H2,(H2,17,22)