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

Systemtic Name: 3-chloranyl-4-[[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-3-chloro-benzonitrile CAS Name: 3-chloro-4-[[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[(3-benzyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-3-chlorobenzonitrile Traditional Name: 4-[[(3-benzyl-4-keto-quinazolin-2-yl)thio]methyl]-3-chloro-benzonitrile Formula: C23H16ClN3OS MolecularWeight: 417.91064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C#N)Cl

InChI

InChI=1S/C23H16ClN3OS/c24-20-12-17(13-25)10-11-18(20)15-29-23-26-21-9-5-4-8-19(21)22(28)27(23)14-16-6-2-1-3-7-16/h1-12H,14-15H2