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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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