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

Systemtic Name: 2-[[(5Z)-4-cyclopropyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[(5Z)-4-cyclopropyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[(5Z)-4-cyclopropyl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[(5Z)-4-cyclopropyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[(5Z)-4-cyclopropyl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=CC=CC3=O)NN=C2SCC4=CC=CC=C4C#N

Isomeric SMILES

C1CC1N2/C(=C/3\C=CC=CC3=O)/NN=C2SCC4=CC=CC=C4C#N

InChI

InChI=1S/C19H16N4OS/c20-11-13-5-1-2-6-14(13)12-25-19-22-21-18(23(19)15-9-10-15)16-7-3-4-8-17(16)24/h1-8,15,21H,9-10,12H2/b18-16+