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

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C25H25N5O2S2 MolecularWeight: 491.6283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)N4CCCC4)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)N4CCCC4)C5=CC=CS5

InChI

InChI=1S/C25H25N5O2S2/c1-32-21-8-3-2-7-20(21)30-24(22-9-6-16-33-22)27-28-25(30)34-17-23(31)26-18-10-12-19(13-11-18)29-14-4-5-15-29/h2-3,6-13,16H,4-5,14-15,17H2,1H3,(H,26,31)