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

Systemtic Name: 7-chloranyl-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C25H21ClN6OS MolecularWeight: 488.99184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C25H21ClN6OS/c1-15(2)18-7-3-4-8-21(18)32-23(16-6-5-11-27-13-16)30-31-25(32)34-14-22-28-20-12-17(26)9-10-19(20)24(33)29-22/h3-13,15H,14H2,1-2H3,(H,28,29,33)