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

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)-2-phenylethanone IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)-2-phenylethanone Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)-2-phenyl-ethanone Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SC(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SC(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C26H27N5OS/c32-23(21-17-27-22-12-6-5-11-20(21)22)24(18-9-3-1-4-10-18)33-26-29-28-25(31(26)19-13-14-19)30-15-7-2-8-16-30/h1,3-6,9-12,17,19,24,27H,2,7-8,13-16H2