methyl 5-[(E)-[4,6-bis(azanyl)pyridin-2-yl]diazenyl]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[(E)-[4,6-bis(azanyl)pyridin-2-yl]diazenyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[(E)-(4,6-diamino-2-pyridyl)azo]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[(E)-(4,6-diamino-2-pyridinyl)azo]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[(E)-(4,6-diaminopyridin-2-yl)diazenyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(E)-(4,6-diamino-2-pyridyl)azo]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C13H12N6O2S MolecularWeight: 316.33838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)N=NC2=NC(=CC(=C2)N)N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)/N=N/C2=NC(=CC(=C2)N)N)C(=O)OC

InChI

InChI=1S/C13H12N6O2S/c1-6-8(5-14)12(22-11(6)13(20)21-2)19-18-10-4-7(15)3-9(16)17-10/h3-4H,1-2H3,(H4,15,16,17)/b19-18+