1-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1H-indol-3-yl)-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1H-indol-3-yl)-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CNC4=CC=CC=C43)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CNC4=CC=CC=C43)N5CCCC5

InChI

InChI=1S/C23H23N5OS/c1-16-8-10-17(11-9-16)28-22(27-12-4-5-13-27)25-26-23(28)30-15-21(29)19-14-24-20-7-3-2-6-18(19)20/h2-3,6-11,14,24H,4-5,12-13,15H2,1H3