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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[[4-(4-ethylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[[4-(4-ethylphenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[[4-(4-ethylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[[4-(4-ethylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[[4-(4-ethylphenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C27H32N5O2S+ MolecularWeight: 490.64028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+](C)CC3=CC(=C(C=C3)OCC)OC)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+](C)CC3=CC(=C(C=C3)OCC)OC)C4=CC=NC=C4

InChI

InChI=1S/C27H31N5O2S/c1-5-20-7-10-23(11-8-20)32-26(22-13-15-28-16-14-22)29-31(27(32)35)19-30(3)18-21-9-12-24(34-6-2)25(17-21)33-4/h7-17H,5-6,18-19H2,1-4H3/p+1