6-chloranyl-7-ethyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[(4-quinazolinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[(quinazolin-4-ylthio)methyl]coumarin Formula: C20H15ClN2O2S MolecularWeight: 382.8633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=NC4=CC=CC=C43)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=NC4=CC=CC=C43)Cl

InChI

InChI=1S/C20H15ClN2O2S/c1-2-12-7-18-15(9-16(12)21)13(8-19(24)25-18)10-26-20-14-5-3-4-6-17(14)22-11-23-20/h3-9,11H,2,10H2,1H3