1-(4-methoxyphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C22H24N4O2S/c1-28-19-11-9-17(10-12-19)20(27)16-29-22-24-23-21(15-25-13-5-6-14-25)26(22)18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-16H2,1H3