2-[[(5Z)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[(5Z)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[(5Z)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[(5Z)-5-(6-ketocyclohexa-2,4-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=CC3=O)NN=C2SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2/C(=C/3\C=CC=CC3=O)/NN=C2SCC(=O)N

InChI

InChI=1S/C16H14N4O2S/c17-14(22)10-23-16-19-18-15(12-8-4-5-9-13(12)21)20(16)11-6-2-1-3-7-11/h1-9,18H,10H2,(H2,17,22)/b15-12+