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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-methyl-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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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)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-5-27-18-11-8-16(12-19(18)26-4)13-24(3)14-25-21(28)22-20(23-25)17-9-6-15(2)7-10-17/h6-12H,5,13-14H2,1-4H3,(H,22,23,28)/p+1