3-[4-[(2S)-butan-2-yl]phenyl]-7-chloranyl-2-prop-2-enylsulfanyl-quinazolin-4-one

Systemtic Name: 3-[4-[(2S)-butan-2-yl]phenyl]-7-chloranyl-2-prop-2-enylsulfanyl-quinazolin-4-one Openeye Name: 2-allylsulfanyl-7-chloro-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[(2S)-butan-2-yl]phenyl]-7-chloro-2-(prop-2-enylthio)-4-quinazolinone IUPAC Name: 3-[4-[(2S)-butan-2-yl]phenyl]-7-chloro-2-prop-2-enylsulfanylquinazolin-4-one Traditional Name: 2-(allylthio)-7-chloro-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC=C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC=C

InChI

InChI=1S/C21H21ClN2OS/c1-4-12-26-21-23-19-13-16(22)8-11-18(19)20(25)24(21)17-9-6-15(7-10-17)14(3)5-2/h4,6-11,13-14H,1,5,12H2,2-3H3/t14-/m0/s1