2-[3-(cyclohexylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(cyclohexylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(cyclohexylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(cyclohexylmethyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(cyclohexylmethyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)CN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C17H19N3OS/c18-10-11-22-17-19-15-9-5-4-8-14(15)16(21)20(17)12-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,11-12H2