4-(4-chlorophenyl)-2-methylsulfanyl-5-(2-phenylazanylpyrimidin-4-yl)thiophene-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-2-methylsulfanyl-5-(2-phenylazanylpyrimidin-4-yl)thiophene-3-carbonitrile Openeye Name: 5-(2-anilinopyrimidin-4-yl)-4-(4-chlorophenyl)-2-methylsulfanyl-thiophene-3-carbonitrile CAS Name: 5-(2-anilino-4-pyrimidinyl)-4-(4-chlorophenyl)-2-(methylthio)-3-thiophenecarbonitrile IUPAC Name: 5-(2-anilinopyrimidin-4-yl)-4-(4-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile Traditional Name: 5-(2-anilinopyrimidin-4-yl)-4-(4-chlorophenyl)-2-(methylthio)thiophene-3-carbonitrile Formula: C22H15ClN4S2 MolecularWeight: 434.9643

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H15ClN4S2/c1-28-21-17(13-24)19(14-7-9-15(23)10-8-14)20(29-21)18-11-12-25-22(27-18)26-16-5-3-2-4-6-16/h2-12H,1H3,(H,25,26,27)