2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanenitrile

Systemtic Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanenitrile Openeye Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetonitrile Formula: C16H13N3S2 MolecularWeight: 311.42452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC#N)C

InChI

InChI=1S/C16H13N3S2/c1-10-3-4-12(7-11(10)2)13-8-21-16-14(13)15(18-9-19-16)20-6-5-17/h3-4,7-9H,6H2,1-2H3