ethyl 4-methyl-2-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C17H17N5O3S2/c1-3-25-15(24)14-11(2)19-17(27-14)20-13(23)9-26-16-18-10-22(21-16)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,19,20,23)