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

Systemtic Name: 4-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C18H14ClN3OS MolecularWeight: 355.84126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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