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

Systemtic Name: ethyl 4-methyl-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-[(5-phenyl-1H-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=NNC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

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