1-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-acetylindolin-5-yl)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-acetylindolin-5-yl)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)SC3=NN=C(N3C4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)SC3=NN=C(N3C4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C26H29N5O2S/c1-18(24(33)21-11-12-23-20(17-21)13-16-30(23)19(2)32)34-26-28-27-25(29-14-7-4-8-15-29)31(26)22-9-5-3-6-10-22/h3,5-6,9-12,17-18H,4,7-8,13-16H2,1-2H3