2-azanyl-4-methyl-6-methylsulfanyl-5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-azanyl-4-methyl-6-methylsulfanyl-5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile Openeye Name: 2-amino-4-methyl-6-methylsulfanyl-5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile CAS Name: 2-amino-4-methyl-6-(methylthio)-5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile IUPAC Name: 2-amino-4-methyl-6-methylsulfanyl-5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile Traditional Name: 2-amino-4-methyl-6-(methylthio)-5-[4-(trifluoromethyl)phenyl]isophthalonitrile Formula: C17H12F3N3S MolecularWeight: 347.35749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C2=CC=C(C=C2)C(F)(F)F)SC)C#N)N)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1C2=CC=C(C=C2)C(F)(F)F)SC)C#N)N)C#N

InChI

InChI=1S/C17H12F3N3S/c1-9-12(7-21)15(23)13(8-22)16(24-2)14(9)10-3-5-11(6-4-10)17(18,19)20/h3-6H,23H2,1-2H3