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

Systemtic Name: 2-azanyl-4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methylsulfanyl-benzene-1,3-dicarbonitrile Openeye Name: 2-amino-4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methylsulfanyl-benzene-1,3-dicarbonitrile CAS Name: 2-amino-4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-6-(methylthio)benzene-1,3-dicarbonitrile IUPAC Name: 2-amino-4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-6-methylsulfanylbenzene-1,3-dicarbonitrile Traditional Name: 2-amino-4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-6-(methylthio)isophthalonitrile Formula: C23H18FN3O2S MolecularWeight: 419.471323

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H18FN3O2S/c1-28-15-8-9-16(19(10-15)29-2)21-17(11-25)22(27)18(12-26)23(30-3)20(21)13-4-6-14(24)7-5-13/h4-10H,27H2,1-3H3