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

Systemtic Name: 4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

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