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

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

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)NC

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)NC

InChI

InChI=1S/C20H21N5O2S/c1-14-23-24-20(25(14)12-15-7-4-3-5-8-15)28-13-18(26)22-17-10-6-9-16(11-17)19(27)21-2/h3-11H,12-13H2,1-2H3,(H,21,27)(H,22,26)