2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-3,6-dimethyl-quinazolin-4-one

Systemtic Name: 2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-3,6-dimethyl-quinazolin-4-one Openeye Name: 2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-3,6-dimethyl-quinazolin-4-one CAS Name: 2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-3,6-dimethyl-4-quinazolinone IUPAC Name: 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-3,6-dimethylquinazolin-4-one Traditional Name: 2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-3,6-dimethyl-quinazolin-4-one Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC3=C(N(N=C3C)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC3=C(N(N=C3C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4OS/c1-13-9-10-18-16(11-13)20(27)25(3)21(23-18)28-12-17-14(2)24-26(19(17)22)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3