4-[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-[(4-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(4-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C19H16ClN3OS MolecularWeight: 369.86784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC#N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC#N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN3OS/c20-15-9-7-14(8-10-15)13-23-18(24)16-5-1-2-6-17(16)22-19(23)25-12-4-3-11-21/h1-2,5-10H,3-4,12-13H2