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

Systemtic Name: 4-[[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(7-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[7-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[(7-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18ClN3OS/c1-13(2)11-24-19(25)17-8-7-16(21)9-18(17)23-20(24)26-12-15-5-3-14(10-22)4-6-15/h3-9,13H,11-12H2,1-2H3