2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H17ClN6OS MolecularWeight: 460.93868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=NC=C5

InChI

InChI=1S/C23H17ClN6OS/c1-14-17(24)6-4-8-19(14)30-21(15-9-11-25-12-10-15)28-29-23(30)32-13-20-26-18-7-3-2-5-16(18)22(31)27-20/h2-12H,13H2,1H3,(H,26,27,31)