methyl 2-(benzotriazol-1-ylcarbothioylamino)ethanoate

Systemtic Name: methyl 2-(benzotriazol-1-ylcarbothioylamino)ethanoate Openeye Name: methyl 2-(benzotriazole-1-carbothioylamino)acetate CAS Name: 2-[[1-benzotriazolyl(sulfanylidene)methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-(benzotriazole-1-carbothioylamino)acetate Traditional Name: 2-(benzotriazole-1-carbothioylamino)acetic acid methyl ester Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1C2=CC=CC=C2N=N1

Isomeric SMILES

COC(=O)CNC(=S)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C10H10N4O2S/c1-16-9(15)6-11-10(17)14-8-5-3-2-4-7(8)12-13-14/h2-5H,6H2,1H3,(H,11,17)