2-(1H-benzimidazol-2-ylmethylsulfanyl)-7-chloranyl-3-(furan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-7-chloranyl-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-7-chloro-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-7-chloro-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-7-chloro-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-7-chloro-3-(2-furfuryl)quinazolin-4-one Formula: C21H15ClN4O2S MolecularWeight: 422.8874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CO5

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C21H15ClN4O2S/c22-13-7-8-15-18(10-13)25-21(26(20(15)27)11-14-4-3-9-28-14)29-12-19-23-16-5-1-2-6-17(16)24-19/h1-10H,11-12H2,(H,23,24)