2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-26-20(15-17-7-3-2-4-8-17)24-25-22(26)29-16-21(28)23-18-9-11-19(12-10-18)27-13-5-6-14-27/h2-4,7-12H,5-6,13-16H2,1H3,(H,23,28)