3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]quinazolin-4-one CAS Name: 3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]quinazolin-4-one Traditional Name: 2-(benzylthio)-3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]quinazolin-4-one Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4OS/c1-16-19(23)14-26(25-16)12-7-13-27-21(28)18-10-5-6-11-20(18)24-22(27)29-15-17-8-3-2-4-9-17/h2-6,8-11,14H,7,12-13,15H2,1H3