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

Systemtic Name: 4-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-methyl-benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-3-26-18(13-15-7-5-4-6-8-15)24-25-21(26)29-14-19(27)23-17-11-9-16(10-12-17)20(28)22-2/h4-12H,3,13-14H2,1-2H3,(H,22,28)(H,23,27)