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

Systemtic Name: 2-[[4-ethyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-ethyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-ethyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-ethyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-ethyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C12H12N4OS MolecularWeight: 260.31488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC#N

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC#N

InChI

InChI=1S/C12H12N4OS/c1-2-16-11(9-3-5-10(17)6-4-9)14-15-12(16)18-8-7-13/h3-6,14H,2,8H2,1H3