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

Systemtic Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-[[(5E)-5-(2-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-1-(4-piperidinosulfonylphenyl)ethanone Formula: C29H27N5O3S2 MolecularWeight: 557.68638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NNC(=C4C=C5C=CC=CC5=N4)N3C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NN/C(=C/4\C=C5C=CC=CC5=N4)/N3C6=CC=CC=C6

InChI

InChI=1S/C29H27N5O3S2/c35-27(21-13-15-24(16-14-21)39(36,37)33-17-7-2-8-18-33)20-38-29-32-31-28(34(29)23-10-3-1-4-11-23)26-19-22-9-5-6-12-25(22)30-26/h1,3-6,9-16,19,31H,2,7-8,17-18,20H2/b28-26-