3-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylpropanenitrile CAS Name: 3-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(3-benzyl-4-keto-quinazolin-2-yl)thio]propionitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCC#N

InChI

InChI=1S/C18H15N3OS/c19-11-6-12-23-18-20-16-10-5-4-9-15(16)17(22)21(18)13-14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2