2-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one

Systemtic Name: 2-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one Openeye Name: 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 2-[[4-[(6-chloro-3-pyridinyl)-oxomethyl]phenyl]methylthio]-3,5-dimethyl-4-quinazolinone IUPAC Name: 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one Traditional Name: 2-[[4-(6-chloronicotinoyl)benzyl]thio]-3,5-dimethyl-quinazolin-4-one Formula: C23H18ClN3O2S MolecularWeight: 435.92592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN3O2S/c1-14-4-3-5-18-20(14)22(29)27(2)23(26-18)30-13-15-6-8-16(9-7-15)21(28)17-10-11-19(24)25-12-17/h3-12H,13H2,1-2H3