2-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxamide Formula: C13H17N5O2S2 MolecularWeight: 339.43638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C13H17N5O2S2/c1-13(2,3)11-16-12(18-17-11)22-6-8(19)15-10-7(9(14)20)4-5-21-10/h4-5H,6H2,1-3H3,(H2,14,20)(H,15,19)(H,16,17,18)