[2-(tert-butylamino)-2-oxidanylidene-ethyl]-[(3-cyclohexyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-[(3-cyclohexyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (4-allyl-3-cyclohexyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[2-(tert-butylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-[(3-cyclohexyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-[(3-cyclohexyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (4-allyl-3-cyclohexyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[2-(tert-butylamino)-2-keto-ethyl]-methyl-ammonium Formula: C19H34N5OS+ MolecularWeight: 380.57116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2CCCCC2)CC=C

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2CCCCC2)CC=C

InChI

InChI=1S/C19H33N5OS/c1-6-12-23-17(15-10-8-7-9-11-15)21-24(18(23)26)14-22(5)13-16(25)20-19(2,3)4/h6,15H,1,7-14H2,2-5H3,(H,20,25)/p+1