2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C24H30N4O2S/c1-24(2,3)19-11-9-18(10-12-19)22-25-26-23(28(22)16-20-8-7-15-30-20)31-17-21(29)27-13-5-4-6-14-27/h7-12,15H,4-6,13-14,16-17H2,1-3H3