2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-piperidinosulfonylphenyl)ethanone Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C25H28N4O3S2/c30-23(20-11-13-22(14-12-20)34(31,32)28-15-5-2-6-16-28)18-33-25-27-26-24(21-9-10-21)29(25)17-19-7-3-1-4-8-19/h1,3-4,7-8,11-14,21H,2,5-6,9-10,15-18H2