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

Systemtic Name: N-cyclopropyl-2-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-2-[[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[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=C3C(=O)NC4CC4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4

InChI

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