[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-azanyl-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-azanyl-1H-1,2,4-triazole-5-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 3-amino-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-amino-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C12H10N6O3S MolecularWeight: 318.3112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=NC(=NN3)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=NC(=NN3)N

InChI

InChI=1S/C12H10N6O3S/c13-11-16-9(17-18-11)10(20)21-5-8(19)15-12-14-6-3-1-2-4-7(6)22-12/h1-4H,5H2,(H,14,15,19)(H3,13,16,17,18)