1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

InChI

InChI=1S/C25H27N5OS/c1-2-18-9-8-12-20-21(15-26-24(18)20)22(31)17-32-25-28-27-23(16-29-13-6-7-14-29)30(25)19-10-4-3-5-11-19/h3-5,8-12,15,26H,2,6-7,13-14,16-17H2,1H3