[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanylpyridine-3-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanylpyridine-3-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(E)-4-amino-3-cyano-2-oxo-pent-3-enyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(E)-4-amino-3-cyano-2-oxopent-3-enyl]thio]-3-pyridinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(E)-4-amino-3-cyano-2-oxopent-3-enyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(E)-4-amino-3-cyano-2-keto-pent-3-enyl]thio]nicotinic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)C(=C(C)N)C#N)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)/C(=C(\C)/N)/C#N)/N

InChI

InChI=1S/C18H17N5O4S/c1-10(21)13(6-19)15(24)8-27-18(26)12-4-3-5-23-17(12)28-9-16(25)14(7-20)11(2)22/h3-5H,8-9,21-22H2,1-2H3/b13-10+,14-11+