1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-p-phenetylsulfonylpiperazino)ethanone Formula: C19H27N5O4S2 MolecularWeight: 453.57878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NNC(=N3)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NNC(=N3)C(C)C

InChI

InChI=1S/C19H27N5O4S2/c1-4-28-15-5-7-16(8-6-15)30(26,27)24-11-9-23(10-12-24)17(25)13-29-19-20-18(14(2)3)21-22-19/h5-8,14H,4,9-13H2,1-3H3,(H,20,21,22)