2-[[2-oxidanylidene-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[2-oxidanylidene-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[2-oxo-1-(4-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetonitrile CAS Name: 2-[[2-oxo-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetonitrile IUPAC Name: 2-[[2-oxo-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetonitrile Traditional Name: 2-[[2-keto-1-(4-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetonitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=NC=C3)SCC#N

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=NC=C3)SCC#N

InChI

InChI=1S/C16H16N4OS/c17-7-10-22-15-13-3-1-2-4-14(13)20(16(21)19-15)11-12-5-8-18-9-6-12/h5-6,8-9H,1-4,10-11H2