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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl]-[(3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: [2-(tert-butylamino)-2-keto-ethyl]-[(3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H27N5OS/c1-19(2,3)20-16(25)12-22(4)13-23-18(26)24(15-8-6-5-7-9-15)17(21-23)14-10-11-14/h5-9,14H,10-13H2,1-4H3,(H,20,25)/p+1