3-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-methyl-benzamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)NC

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)NC

InChI

InChI=1S/C16H21N5O2S/c1-16(2,3)14-19-15(21-20-14)24-9-12(22)18-11-7-5-6-10(8-11)13(23)17-4/h5-8H,9H2,1-4H3,(H,17,23)(H,18,22)(H,19,20,21)