2-[2-[(4-chlorophenyl)methylsulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-chlorophenyl)methylsulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(4-chlorophenyl)methylthio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-chlorophenyl)methylsulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(4-chlorobenzyl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C18H14ClN3OS MolecularWeight: 355.84126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSCC3=CC=C(C=C3)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSCC3=CC=C(C=C3)Cl)CC#N

InChI

InChI=1S/C18H14ClN3OS/c19-14-7-5-13(6-8-14)11-24-12-17-21-16-4-2-1-3-15(16)18(23)22(17)10-9-20/h1-8H,10-12H2