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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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