ethyl 4-(1,2,4-triazol-4-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(1,2,4-triazol-4-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1,2,4-triazol-4-ylcarbamothioylamino)benzoate CAS Name: 4-[[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1,2,4-triazol-4-ylcarbamothioylamino)benzoate Traditional Name: 4-(1,2,4-triazol-4-ylthiocarbamoylamino)benzoic acid ethyl ester Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2C=NN=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2C=NN=C2

InChI

InChI=1S/C12H13N5O2S/c1-2-19-11(18)9-3-5-10(6-4-9)15-12(20)16-17-7-13-14-8-17/h3-8H,2H2,1H3,(H2,15,16,20)