3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanenitrile

Systemtic Name: 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanenitrile Openeye Name: 3-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanenitrile CAS Name: 3-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanenitrile IUPAC Name: 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanenitrile Traditional Name: 3-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionitrile Formula: C16H13N3S2 MolecularWeight: 311.42452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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