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

Systemtic Name: 5-(2-azanylpyridin-4-yl)-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile Openeye Name: 5-(2-amino-4-pyridyl)-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile CAS Name: 5-(2-amino-4-pyridinyl)-2-(methylthio)-4-[4-(trifluoromethyl)phenyl]-3-thiophenecarbonitrile IUPAC Name: 5-(2-aminopyridin-4-yl)-2-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile Traditional Name: 5-(2-amino-4-pyridyl)-2-(methylthio)-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile Formula: C18H12F3N3S2 MolecularWeight: 391.43319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F3N3S2/c1-25-17-13(9-22)15(10-2-4-12(5-3-10)18(19,20)21)16(26-17)11-6-7-24-14(23)8-11/h2-8H,1H3,(H2,23,24)