(4-ethoxy-3-methoxy-phenyl)methyl-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)N(C=N2)C3=CC(=CC=C3)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)N(C=N2)C3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C21H26N4O3S/c1-5-28-19-10-9-16(11-20(19)27-4)13-23(2)15-25-21(29)24(14-22-25)17-7-6-8-18(12-17)26-3/h6-12,14H,5,13,15H2,1-4H3/p+1