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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C

InChI

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