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

Systemtic Name: [4-(2-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[[4-(o-tolyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: [4-(2-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[[4-(2-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: dibenzyl-[[4-(o-tolyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C29H28N5S+ MolecularWeight: 478.63112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C29H27N5S/c1-23-10-8-9-15-27(23)34-28(26-16-18-30-19-17-26)31-33(29(34)35)22-32(20-24-11-4-2-5-12-24)21-25-13-6-3-7-14-25/h2-19H,20-22H2,1H3/p+1