[azanyl-[(Z)-cyano(3,4-dihydro-2H-isoquinolin-1-ylidene)methyl]sulfanyl-methylidene]azanium bromide

Systemtic Name: [azanyl-[(Z)-cyano(3,4-dihydro-2H-isoquinolin-1-ylidene)methyl]sulfanyl-methylidene]azanium bromide Openeye Name: [amino-[(Z)-cyano(3,4-dihydro-2H-isoquinolin-1-ylidene)methyl]sulfanyl-methylene]ammonium bromide CAS Name: [amino-[[(Z)-cyano(3,4-dihydro-2H-isoquinolin-1-ylidene)methyl]thio]methylidene]ammonium bromide IUPAC Name: [amino-[(Z)-cyano(3,4-dihydro-2H-isoquinolin-1-ylidene)methyl]sulfanylmethylidene]azanium bromide Traditional Name: [amino-[[(Z)-cyano(3,4-dihydro-2H-isoquinolin-1-ylidene)methyl]thio]methylene]ammonium bromide Formula: C12H13BrN4S MolecularWeight: 325.22742

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C(C#N)SC(=[NH2+])N)C2=CC=CC=C21.[Br-]

Isomeric SMILES

C1CN/C(=C(/C#N)\SC(=[NH2+])N)/C2=CC=CC=C21.[Br-]

InChI

InChI=1S/C12H12N4S.BrH/c13-7-10(17-12(14)15)11-9-4-2-1-3-8(9)5-6-16-11;/h1-4,16H,5-6H2,(H3,14,15);1H/b11-10-;