[4-butyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [4-butyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(2-cyanoethyl)-methyl-azanium Openeye Name: [4-butyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(2-cyanoethyl)-methyl-ammonium CAS Name: [4-butyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(2-cyanoethyl)-methylammonium IUPAC Name: [4-butyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(2-cyanoethyl)-methylazanium Traditional Name: [4-butyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(2-cyanoethyl)-methyl-ammonium Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)C[NH+](C)CCC#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(=NN(C1=S)C[NH+](C)CCC#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H25N5OS/c1-4-5-13-22-17(15-7-9-16(24-3)10-8-15)20-23(18(22)25)14-21(2)12-6-11-19/h7-10H,4-6,12-14H2,1-3H3/p+1