1H-benzimidazol-2-yl-[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]methanethiol

Systemtic Name: 1H-benzimidazol-2-yl-[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]methanethiol Openeye Name: 1H-benzimidazol-2-yl-[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]methanethiol CAS Name: 1H-benzimidazol-2-yl-[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]methanethiol IUPAC Name: 1H-benzimidazol-2-yl-[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]methanethiol Traditional Name: 1H-benzimidazol-2-yl-[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]methanethiol Formula: C22H18N6S MolecularWeight: 398.48352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2C(C3=NC4=CC=CC=C4N3)S)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2C(C3=NC4=CC=CC=C4N3)S)C5=CC=NC=C5

InChI

InChI=1S/C22H18N6S/c1-14-6-8-16(9-7-14)28-21(15-10-12-23-13-11-15)26-27-22(28)19(29)20-24-17-4-2-3-5-18(17)25-20/h2-13,19,29H,1H3,(H,24,25)