3-[4-[(2S)-butan-2-yl]phenyl]-2-[(E)-3-chloranylprop-2-enyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[4-[(2S)-butan-2-yl]phenyl]-2-[(E)-3-chloranylprop-2-enyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(E)-3-chloroallyl]sulfanyl-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[(2S)-butan-2-yl]phenyl]-2-[[(E)-3-chloroprop-2-enyl]thio]-4-quinazolinone IUPAC Name: 3-[4-[(2S)-butan-2-yl]phenyl]-2-[(E)-3-chloroprop-2-enyl]sulfanylquinazolin-4-one Traditional Name: 2-[[(E)-3-chloroallyl]thio]-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one Formula: C21H21ClN2OS MolecularWeight: 384.92224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC=CCl

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC/C=C/Cl

InChI

InChI=1S/C21H21ClN2OS/c1-3-15(2)16-9-11-17(12-10-16)24-20(25)18-7-4-5-8-19(18)23-21(24)26-14-6-13-22/h4-13,15H,3,14H2,1-2H3/b13-6+/t15-/m0/s1