[2-(cyclopropylamino)-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-(cyclopropylamino)-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-(cyclopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(cyclopropylamino)-2-oxoethyl]-methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H23N6OS+ MolecularWeight: 359.46912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

Isomeric SMILES

C[NH+](CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

InChI

InChI=1S/C17H22N6OS/c1-3-9-22-16(13-5-4-8-18-10-13)20-23(17(22)25)12-21(2)11-15(24)19-14-6-7-14/h3-5,8,10,14H,1,6-7,9,11-12H2,2H3,(H,19,24)/p+1