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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[2-(tert-butylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[2-(tert-butylamino)-2-keto-ethyl]-methyl-ammonium Formula: C18H27N6OS+ MolecularWeight: 375.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2=CN=CC=C2)CC=C

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2=CN=CC=C2)CC=C

InChI

InChI=1S/C18H26N6OS/c1-6-10-23-16(14-8-7-9-19-11-14)21-24(17(23)26)13-22(5)12-15(25)20-18(2,3)4/h6-9,11H,1,10,12-13H2,2-5H3,(H,20,25)/p+1