ethyl 2-[[5-[(1-ethylbenzotriazol-5-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(1-ethylbenzotriazol-5-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(1-ethylbenzotriazole-5-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(1-ethyl-5-benzotriazolyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(1-ethylbenzotriazole-5-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(1-ethylbenzotriazole-5-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C15H16N6O3S2 MolecularWeight: 392.45594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)OCC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)OCC)N=N1

InChI

InChI=1S/C15H16N6O3S2/c1-3-21-11-6-5-9(7-10(11)17-20-21)13(23)16-14-18-19-15(26-14)25-8-12(22)24-4-2/h5-7H,3-4,8H2,1-2H3,(H,16,18,23)