(2Z,3Z)-2,3-bis[azanyl-(3,4-dimethoxyphenyl)sulfanyl-methylidene]butanedinitrile

Systemtic Name: (2Z,3Z)-2,3-bis[azanyl-(3,4-dimethoxyphenyl)sulfanyl-methylidene]butanedinitrile Openeye Name: (2Z,3Z)-2,3-bis[amino-(3,4-dimethoxyphenyl)sulfanyl-methylene]butanedinitrile CAS Name: (2Z,3Z)-2,3-bis[amino-[(3,4-dimethoxyphenyl)thio]methylidene]butanedinitrile IUPAC Name: (2Z,3Z)-2,3-bis[amino-(3,4-dimethoxyphenyl)sulfanylmethylidene]butanedinitrile Traditional Name: (2Z,3Z)-2,3-bis[amino-[(3,4-dimethoxyphenyl)thio]methylene]succinonitrile Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC(=C(C#N)C(=C(N)SC2=CC(=C(C=C2)OC)OC)C#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S/C(=C(/C(=C(/SC2=CC(=C(C=C2)OC)OC)\N)/C#N)\C#N)/N)OC

InChI

InChI=1S/C22H22N4O4S2/c1-27-17-7-5-13(9-19(17)29-3)31-21(25)15(11-23)16(12-24)22(26)32-14-6-8-18(28-2)20(10-14)30-4/h5-10H,25-26H2,1-4H3/b21-15+,22-16+