N-(3-methylphenyl)-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzamide

Systemtic Name: N-(3-methylphenyl)-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzamide Openeye Name: N-(m-tolyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide CAS Name: N-(3-methylphenyl)-4-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzamide IUPAC Name: N-(3-methylphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide Traditional Name: N-(m-tolyl)-4-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C18H17N5O2S/c1-12-3-2-4-15(9-12)22-17(25)13-5-7-14(8-6-13)21-16(24)10-26-18-19-11-20-23-18/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25)(H,19,20,23)