[2-(tert-butylamino)-2-oxidanylidene-ethyl]-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl]-[(4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: [2-(tert-butylamino)-2-keto-ethyl]-[(4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C13H24N5OS+ MolecularWeight: 298.42756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+](C)CN1C(=S)N(C=N1)C2CC2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+](C)CN1C(=S)N(C=N1)C2CC2

InChI

InChI=1S/C13H23N5OS/c1-13(2,3)15-11(19)7-16(4)9-18-12(20)17(8-14-18)10-5-6-10/h8,10H,5-7,9H2,1-4H3,(H,15,19)/p+1