3-[2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-methyl-benzamide Formula: C17H17N7O2S MolecularWeight: 383.42758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3

InChI

InChI=1S/C17H17N7O2S/c1-19-16(26)12-3-2-4-13(9-12)21-14(25)10-27-17-23-22-15(24(17)18)11-5-7-20-8-6-11/h2-9H,10,18H2,1H3,(H,19,26)(H,21,25)