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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyrrolidinophenyl)acetamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4N5CCCC5

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4N5CCCC5

InChI

InChI=1S/C27H27N5O2S/c1-34-24-16-8-5-13-21(24)26-29-30-27(32(26)20-11-3-2-4-12-20)35-19-25(33)28-22-14-6-7-15-23(22)31-17-9-10-18-31/h2-8,11-16H,9-10,17-19H2,1H3,(H,28,33)