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

Systemtic Name: 2-[[4-methyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-methyl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C11H10N4OS MolecularWeight: 246.2883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC=CC2=O)NN=C1SCC#N

Isomeric SMILES

CN1C(=C2C=CC=CC2=O)NN=C1SCC#N

InChI

InChI=1S/C11H10N4OS/c1-15-10(8-4-2-3-5-9(8)16)13-14-11(15)17-7-6-12/h2-5,13H,7H2,1H3