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

Systemtic Name: 2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C3C=CC=CC3=O)NN=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C3C=CC=CC3=O)NN=C2SCC#N

InChI

InChI=1S/C16H12N4OS/c17-10-11-22-16-19-18-15(13-8-4-5-9-14(13)21)20(16)12-6-2-1-3-7-12/h1-9,18H,11H2