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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C

InChI

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