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

Systemtic Name: 4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]methyl]benzonitrile Formula: C21H15N3S2 MolecularWeight: 373.4939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H15N3S2/c1-14-2-8-17(9-3-14)18-12-26-21-19(18)20(23-13-24-21)25-11-16-6-4-15(10-22)5-7-16/h2-9,12-13H,11H2,1H3