1-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-2-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-2-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[4-(4-tert-butylbenzoyl)-3-methyl-piperazin-1-yl]-2-[[5-(2-furyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-[[5-(2-furanyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(4-tert-butylbenzoyl)-3-methylpiperazin-1-yl]-2-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[4-(4-tert-butylbenzoyl)-3-methyl-piperazino]-2-[[5-(2-furyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C31H35N5O3S MolecularWeight: 557.7063

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C)C5=CC=CO5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C)C5=CC=CO5

InChI

InChI=1S/C31H35N5O3S/c1-21-8-6-9-25(18-21)36-28(26-10-7-17-39-26)32-33-30(36)40-20-27(37)34-15-16-35(22(2)19-34)29(38)23-11-13-24(14-12-23)31(3,4)5/h6-14,17-18,22H,15-16,19-20H2,1-5H3