[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)SC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)SC)N=N1

InChI

InChI=1S/C18H17N3O3S/c1-3-21-16-9-6-13(10-15(16)19-20-21)18(23)24-11-17(22)12-4-7-14(25-2)8-5-12/h4-10H,3,11H2,1-2H3