2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methyl-2-phenyl-indol-3-yl)ethanone

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methyl-2-phenyl-indol-3-yl)ethanone Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methyl-2-phenyl-indol-3-yl)ethanone CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-(1-methyl-2-phenyl-3-indolyl)ethanone IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methyl-2-phenylindol-3-yl)ethanone Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-(1-methyl-2-phenyl-indol-3-yl)ethanone Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS/c1-23(2,3)21-24-22(26-25-21)29-14-18(28)19-16-12-8-9-13-17(16)27(4)20(19)15-10-6-5-7-11-15/h5-13H,14H2,1-4H3,(H,24,25,26)