2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-oxo-3-(p-tolylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)thieno[3,2-d]pyrimidin-2-yl]thio]acetonitrile Formula: C16H13N3OS2 MolecularWeight: 327.42392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC#N

InChI

InChI=1S/C16H13N3OS2/c1-11-2-4-12(5-3-11)10-19-15(20)14-13(6-8-21-14)18-16(19)22-9-7-17/h2-6,8H,9-10H2,1H3