methyl 5-[(Z)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]-1-(4-chlorophenyl)pyrazole-4-carboxylate

Systemtic Name: methyl 5-[(Z)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]-1-(4-chlorophenyl)pyrazole-4-carboxylate Openeye Name: methyl 5-[(Z)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-1-(4-chlorophenyl)pyrazole-4-carboxylate CAS Name: 5-[(Z)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(Z)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-1-(4-chlorophenyl)pyrazole-4-carboxylate Traditional Name: 5-[(Z)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-1-(4-chlorophenyl)pyrazole-4-carboxylic acid methyl ester Formula: C15H11ClN4O2S MolecularWeight: 346.79144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C=C(C#N)C(=S)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)/C=C(/C#N)\C(=S)N

InChI

InChI=1S/C15H11ClN4O2S/c1-22-15(21)12-8-19-20(11-4-2-10(16)3-5-11)13(12)6-9(7-17)14(18)23/h2-6,8H,1H3,(H2,18,23)/b9-6-