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

Systemtic Name: 4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanenitrile Openeye Name: 4-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanenitrile CAS Name: 4-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]butanenitrile IUPAC Name: 4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanenitrile Traditional Name: 4-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]butyronitrile Formula: C17H15N3S2 MolecularWeight: 325.4511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3S2/c1-12-4-6-13(7-5-12)14-10-22-17-15(14)16(19-11-20-17)21-9-3-2-8-18/h4-7,10-11H,2-3,9H2,1H3