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

Systemtic Name: 7-chloranyl-2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[[4-(2-methylcyclohexyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H23ClN6OS MolecularWeight: 466.98632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

CC1CCCCC1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C23H23ClN6OS/c1-14-5-2-3-7-19(14)30-21(15-6-4-10-25-12-15)28-29-23(30)32-13-20-26-18-11-16(24)8-9-17(18)22(31)27-20/h4,6,8-12,14,19H,2-3,5,7,13H2,1H3,(H,26,27,31)