5-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-5-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]triazole-4-carboxamide CAS Name: 5-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-5-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]triazole-4-carboxamide Traditional Name: 1-benzyl-5-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]triazole-4-carboxamide Formula: C16H17N7O2S MolecularWeight: 371.41688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=C(N=NN2CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=C(N=NN2CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C16H17N7O2S/c1-22-8-7-18-16(22)26-10-12(24)19-15-13(14(17)25)20-21-23(15)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H2,17,25)(H,19,24)