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

Systemtic Name: methyl-[2-oxidanylidene-2-(propylamino)ethyl]-[(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-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: methyl-[2-oxo-2-(propylamino)ethyl]-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: methyl-[2-oxo-2-(propylamino)ethyl]-[(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-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C17H25N6OS+ MolecularWeight: 361.485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6OS/c1-4-8-19-15(24)12-21(3)13-23-17(25)22(10-5-2)16(20-23)14-7-6-9-18-11-14/h5-7,9,11H,2,4,8,10,12-13H2,1,3H3,(H,19,24)/p+1