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

Systemtic Name: 4-[[4-methyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-methyl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC=CC2=O)NN=C1SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C(=C2C=CC=CC2=O)NN=C1SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H14N4OS/c1-21-16(14-4-2-3-5-15(14)22)19-20-17(21)23-11-13-8-6-12(10-18)7-9-13/h2-9,19H,11H2,1H3