2-[3-(cyanomethylsulfanyl)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-4-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-(cyanomethylsulfanyl)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[3-(cyanomethylsulfanyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[3-(cyanomethylthio)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[3-(cyanomethylsulfanyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-4-yl]ethyl-dimethylazanium Traditional Name: 2-[3-(cyanomethylthio)-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-4-yl]ethyl-dimethyl-ammonium Formula: C14H18N5OS+ MolecularWeight: 304.39062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=C2C=CC=CC2=O)NN=C1SCC#N

Isomeric SMILES

C[NH+](C)CCN1C(=C2C=CC=CC2=O)NN=C1SCC#N

InChI

InChI=1S/C14H17N5OS/c1-18(2)8-9-19-13(11-5-3-4-6-12(11)20)16-17-14(19)21-10-7-15/h3-6,16H,8-10H2,1-2H3/p+1