1-(4-tert-butylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C25H26N4O2S/c1-17(22(30)18-9-11-20(12-10-18)25(2,3)4)32-24-28-27-23(19-7-5-13-26-15-19)29(24)16-21-8-6-14-31-21/h5-15,17H,16H2,1-4H3