2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C18H15N3OS/c1-12-6-5-7-13(2)16(12)21-17(22)14-8-3-4-9-15(14)20-18(21)23-11-10-19/h3-9H,11H2,1-2H3