5-(2-azanylpyrimidin-4-yl)-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile CAS Name: 5-(2-amino-4-pyrimidinyl)-2-(methylthio)-4-[4-(trifluoromethyl)phenyl]-3-thiophenecarbonitrile IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-(methylthio)-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile Formula: C17H11F3N4S2 MolecularWeight: 392.42125

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)N)C3=CC=C(C=C3)C(F)(F)F)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)N)C3=CC=C(C=C3)C(F)(F)F)C#N

InChI

InChI=1S/C17H11F3N4S2/c1-25-15-11(8-21)13(9-2-4-10(5-3-9)17(18,19)20)14(26-15)12-6-7-23-16(22)24-12/h2-7H,1H3,(H2,22,23,24)