4-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(2-methyl-6-phenyl-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=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC4=CC=C(C=C4)C#N

InChI

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