2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H24N6OS MolecularWeight: 432.54126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)N5CCCCC5

InChI

InChI=1S/C23H24N6OS/c1-16-9-11-17(12-10-16)29-22(28-13-5-2-6-14-28)26-27-23(29)31-15-20-24-19-8-4-3-7-18(19)21(30)25-20/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,25,30)