3-[[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[(6-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=CC(=C2)Cl)N=C1SCC3=CC=CC(=C3)C#N

Isomeric SMILES

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

InChI

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