8-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 8-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C25H21N5S MolecularWeight: 423.53274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)C5=CC=NC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)C5=CC=NC=C5)C

InChI

InChI=1S/C25H21N5S/c1-17-8-9-22(15-18(17)2)30-24(20-10-13-26-14-11-20)28-29-25(30)31-16-21-6-3-5-19-7-4-12-27-23(19)21/h3-15H,16H2,1-2H3