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

Systemtic Name: 2-azanyl-4,5-bis(4-methoxyphenyl)-6-methylsulfanyl-benzene-1,3-dicarbonitrile Openeye Name: 2-amino-4,5-bis(4-methoxyphenyl)-6-methylsulfanyl-benzene-1,3-dicarbonitrile CAS Name: 2-amino-4,5-bis(4-methoxyphenyl)-6-(methylthio)benzene-1,3-dicarbonitrile IUPAC Name: 2-amino-4,5-bis(4-methoxyphenyl)-6-methylsulfanylbenzene-1,3-dicarbonitrile Traditional Name: 2-amino-4,5-bis(4-methoxyphenyl)-6-(methylthio)isophthalonitrile Formula: C23H19N3O2S MolecularWeight: 401.48086

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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)OC)SC)C#N)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O2S/c1-27-16-8-4-14(5-9-16)20-18(12-24)22(26)19(13-25)23(29-3)21(20)15-6-10-17(28-2)11-7-15/h4-11H,26H2,1-3H3