2-ethylbutyl-(2-methoxy-2-oxidanylidene-ethyl)-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium

Systemtic Name: 2-ethylbutyl-(2-methoxy-2-oxidanylidene-ethyl)-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: 2-ethylbutyl-(2-methoxy-2-oxo-ethyl)-[[4-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: 2-ethylbutyl-(2-methoxy-2-oxoethyl)-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: 2-ethylbutyl-(2-methoxy-2-oxoethyl)-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: 2-ethylbutyl-(2-keto-2-methoxy-ethyl)-[[4-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C[NH+](CC(=O)OC)CN1C(=S)N(C=N1)C2=CC=CC=C2OC

Isomeric SMILES

CCC(CC)C[NH+](CC(=O)OC)CN1C(=S)N(C=N1)C2=CC=CC=C2OC

InChI

InChI=1S/C19H28N4O3S/c1-5-15(6-2)11-21(12-18(24)26-4)14-23-19(27)22(13-20-23)16-9-7-8-10-17(16)25-3/h7-10,13,15H,5-6,11-12,14H2,1-4H3/p+1