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

Systemtic Name: [4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [4-(4-methoxyphenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(p-tolylmethyl)ammonium CAS Name: [4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [4-(4-methoxyphenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(4-methylbenzyl)ammonium Formula: C24H26N5OS+ MolecularWeight: 432.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H25N5OS/c1-18-4-6-19(7-5-18)16-27(2)17-28-24(31)29(21-8-10-22(30-3)11-9-21)23(26-28)20-12-14-25-15-13-20/h4-15H,16-17H2,1-3H3/p+1