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

Systemtic Name: 2-[[2-oxidanylidene-1-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[2-oxo-1-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetonitrile CAS Name: 2-[[2-oxo-1-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetonitrile IUPAC Name: 2-[[2-oxo-1-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetonitrile Traditional Name: 2-[[2-keto-1-(2-thenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetonitrile Formula: C15H15N3OS2 MolecularWeight: 317.4291

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CS3)SCC#N

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CS3)SCC#N

InChI

InChI=1S/C15H15N3OS2/c16-7-9-21-14-12-5-1-2-6-13(12)18(15(19)17-14)10-11-4-3-8-20-11/h3-4,8H,1-2,5-6,9-10H2