[2-(benzotriazol-1-ylcarbothioyl)cyclohexen-1-yl]-butyl-azanium

Systemtic Name: [2-(benzotriazol-1-ylcarbothioyl)cyclohexen-1-yl]-butyl-azanium Openeye Name: [2-(benzotriazole-1-carbothioyl)cyclohexen-1-yl]-butyl-ammonium CAS Name: [2-[1-benzotriazolyl(sulfanylidene)methyl]-1-cyclohexenyl]-butylammonium IUPAC Name: [2-(benzotriazole-1-carbothioyl)cyclohexen-1-yl]-butylazanium Traditional Name: [2-(benzotriazole-1-carbothioyl)cyclohexen-1-yl]-butyl-ammonium Formula: C17H23N4S+ MolecularWeight: 315.45632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C1=C(CCCC1)C(=S)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCC[NH2+]C1=C(CCCC1)C(=S)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H22N4S/c1-2-3-12-18-14-9-5-4-8-13(14)17(22)21-16-11-7-6-10-15(16)19-20-21/h6-7,10-11,18H,2-5,8-9,12H2,1H3/p+1