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

Systemtic Name: 2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]thio]-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)thio]-1-(4-piperidinosulfonylphenyl)ethanone Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3S2/c1-2-15-29-24(18-20-9-5-3-6-10-20)26-27-25(29)33-19-23(30)21-11-13-22(14-12-21)34(31,32)28-16-7-4-8-17-28/h3,5-6,9-14H,2,4,7-8,15-19H2,1H3