methyl 5-(azanylcarbamothioylamino)-2-chloranyl-benzoate

Systemtic Name: methyl 5-(azanylcarbamothioylamino)-2-chloranyl-benzoate Openeye Name: methyl 5-(aminocarbamothioylamino)-2-chloro-benzoate CAS Name: 2-chloro-5-[[hydrazinyl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-(aminocarbamothioylamino)-2-chlorobenzoate Traditional Name: 5-(aminothiocarbamoylamino)-2-chloro-benzoic acid methyl ester Formula: C9H10ClN3O2S MolecularWeight: 259.7126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=S)NN)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=S)NN)Cl

InChI

InChI=1S/C9H10ClN3O2S/c1-15-8(14)6-4-5(2-3-7(6)10)12-9(16)13-11/h2-4H,11H2,1H3,(H2,12,13,16)