6-[(1,3-thiazol-2-ylcarbamothioylamino)methyl]-2H-benzotriazole-5-carboxylic acid

Systemtic Name: 6-[(1,3-thiazol-2-ylcarbamothioylamino)methyl]-2H-benzotriazole-5-carboxylic acid Openeye Name: 6-[(thiazol-2-ylcarbamothioylamino)methyl]-2H-benzotriazole-5-carboxylic acid CAS Name: 6-[[[sulfanylidene-(2-thiazolylamino)methyl]amino]methyl]-2H-benzotriazole-5-carboxylic acid IUPAC Name: 6-[(1,3-thiazol-2-ylcarbamothioylamino)methyl]-2H-benzotriazole-5-carboxylic acid Traditional Name: 6-[(thiazol-2-ylthiocarbamoylamino)methyl]-2H-benzotriazole-5-carboxylic acid Formula: C12H10N6O2S2 MolecularWeight: 334.3768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=N1)NC(=S)NCC2=CC3=NNN=C3C=C2C(=O)O

Isomeric SMILES

C1=CSC(=N1)NC(=S)NCC2=CC3=NNN=C3C=C2C(=O)O

InChI

InChI=1S/C12H10N6O2S2/c19-10(20)7-4-9-8(16-18-17-9)3-6(7)5-14-11(21)15-12-13-1-2-22-12/h1-4H,5H2,(H,19,20)(H,16,17,18)(H2,13,14,15,21)