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

Systemtic Name: N,N-dimethyl-4-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N,N-dimethyl-4-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N,N-dimethyl-4-[[1-oxo-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N,N-dimethyl-4-[[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N,N-dimethyl-4-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O2S/c1-24(2)17(26)13-3-5-14(6-4-13)20-15(25)11-27-18-21-16(22-23-18)12-7-9-19-10-8-12/h3-10H,11H2,1-2H3,(H,20,25)(H,21,22,23)