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

Systemtic Name: 4-[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-methyl-benzamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

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