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

Systemtic Name: 1-phenyl-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-phenyl-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-phenyl-4-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-phenyl-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-phenyl-4-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c28-21(19-10-3-1-4-11-19)14-9-17-29-23-25-24-22(18-26-15-7-8-16-26)27(23)20-12-5-2-6-13-20/h1-6,10-13H,7-9,14-18H2