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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H25N5O2S/c1-26-21(18-7-3-4-8-19(18)29-2)24-25-22(26)30-15-20(28)23-16-9-11-17(12-10-16)27-13-5-6-14-27/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,23,28)