2-azanyl-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-methylsulfanyl-benzene-1,3-dicarbonitrile

Systemtic Name: 2-azanyl-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-methylsulfanyl-benzene-1,3-dicarbonitrile Openeye Name: 2-amino-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-methylsulfanyl-benzene-1,3-dicarbonitrile CAS Name: 2-amino-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-(methylthio)benzene-1,3-dicarbonitrile IUPAC Name: 2-amino-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-methylsulfanylbenzene-1,3-dicarbonitrile Traditional Name: 2-amino-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-(methylthio)isophthalonitrile Formula: C22H16FN3OS MolecularWeight: 389.445343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=C(C=C3)F)SC)C#N)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=C(C=C3)F)SC)C#N)N)C#N

InChI

InChI=1S/C22H16FN3OS/c1-27-16-9-5-13(6-10-16)19-17(11-24)21(26)18(12-25)22(28-2)20(19)14-3-7-15(23)8-4-14/h3-10H,26H2,1-2H3