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

Systemtic Name: N-cyclopropyl-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-cyclopropyl-benzamide CAS Name: N-cyclopropyl-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-cyclopropylbenzamide Traditional Name: 3-[[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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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)NC4CC4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H23N5O2S/c1-15-25-26-22(27(15)13-16-6-3-2-4-7-16)30-14-20(28)23-19-9-5-8-17(12-19)21(29)24-18-10-11-18/h2-9,12,18H,10-11,13-14H2,1H3,(H,23,28)(H,24,29)