1-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one

Systemtic Name: 1-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-[4-(4-tert-butylbenzoyl)-3-methyl-piperazin-1-yl]-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-[4-(4-tert-butylbenzoyl)-3-methylpiperazin-1-yl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-[4-(4-tert-butylbenzoyl)-3-methyl-piperazino]-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C32H37N5O2S2 MolecularWeight: 587.79848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C32H37N5O2S2/c1-23-22-35(18-19-36(23)30(39)24-14-16-25(17-15-24)32(2,3)4)28(38)13-9-21-41-31-34-33-29(27-12-8-20-40-27)37(31)26-10-6-5-7-11-26/h5-8,10-12,14-17,20,23H,9,13,18-19,21-22H2,1-4H3