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

Systemtic Name: 3-[2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-methyl-benzamide Formula: C22H23ClN6O2S MolecularWeight: 470.97502

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)N4CCCC4

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)N4CCCC4

InChI

InChI=1S/C22H23ClN6O2S/c1-24-20(31)15-6-4-8-17(12-15)25-19(30)14-32-22-27-26-21(28-10-2-3-11-28)29(22)18-9-5-7-16(23)13-18/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,24,31)(H,25,30)