S-[(4-cyano-2-methyl-pyrazol-3-yl)carbamoylamino] 4-chloranylbenzenecarbothioate

Systemtic Name: S-[(4-cyano-2-methyl-pyrazol-3-yl)carbamoylamino] 4-chloranylbenzenecarbothioate Openeye Name: S-[(4-cyano-2-methyl-pyrazol-3-yl)carbamoylamino] 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-[[[(4-cyano-2-methyl-3-pyrazolyl)amino]-oxomethyl]amino] ester IUPAC Name: S-[(4-cyano-2-methylpyrazol-3-yl)carbamoylamino] 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-[(4-cyano-2-methyl-pyrazol-3-yl)carbamoylamino] ester Formula: C13H10ClN5O2S MolecularWeight: 335.7688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)NC(=O)NSC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=C(C=N1)C#N)NC(=O)NSC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H10ClN5O2S/c1-19-11(9(6-15)7-16-19)17-13(21)18-22-12(20)8-2-4-10(14)5-3-8/h2-5,7H,1H3,(H2,17,18,21)