2-[[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C21H14ClN3O2S MolecularWeight: 407.87276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4)C#N

InChI

InChI=1S/C21H14ClN3O2S/c22-16-7-8-18-19(10-16)24-21(25(20(18)26)12-17-6-3-9-27-17)28-13-15-5-2-1-4-14(15)11-23/h1-10H,12-13H2