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

Systemtic Name: 3-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-methyl-benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC(=C3)C(=O)NC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC(=C3)C(=O)NC

InChI

InChI=1S/C20H21N5O2S/c1-3-13-7-9-14(10-8-13)18-23-20(25-24-18)28-12-17(26)22-16-6-4-5-15(11-16)19(27)21-2/h4-11H,3,12H2,1-2H3,(H,21,27)(H,22,26)(H,23,24,25)