2-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide

Systemtic Name: 2-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Openeye Name: 2-[2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide CAS Name: 2-[[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Traditional Name: 2-[2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]propanoylamino]benzamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SC(C)C(=O)NC2=CC=CC=C2C(=O)N

Isomeric SMILES

CC(C)CC1=NC(=NN1)SC(C)C(=O)NC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C16H21N5O2S/c1-9(2)8-13-19-16(21-20-13)24-10(3)15(23)18-12-7-5-4-6-11(12)14(17)22/h4-7,9-10H,8H2,1-3H3,(H2,17,22)(H,18,23)(H,19,20,21)