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

Systemtic Name: 1-(1H-indol-3-yl)-2-phenyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1H-indol-3-yl)-2-phenyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1H-indol-3-yl)-2-phenyl-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-phenyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1H-indol-3-yl)-2-phenyl-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C29H27N5OS MolecularWeight: 493.62258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SC(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SC(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H27N5OS/c35-27(24-19-30-25-16-8-7-15-23(24)25)28(21-11-3-1-4-12-21)36-29-32-31-26(20-33-17-9-10-18-33)34(29)22-13-5-2-6-14-22/h1-8,11-16,19,28,30H,9-10,17-18,20H2