[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [3-(4-chlorophenyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylammonium IUPAC Name: [3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium Traditional Name: [3-(4-chlorophenyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H23ClN5OS+ MolecularWeight: 380.91542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC(=O)NC2CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC(=O)NC2CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H22ClN5OS/c1-3-22-16(12-4-6-13(18)7-5-12)20-23(17(22)25)11-21(2)10-15(24)19-14-8-9-14/h4-7,14H,3,8-11H2,1-2H3,(H,19,24)/p+1