1-(4-tert-butylphenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SC(C)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SC(C)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H25N3O2S/c1-13-17(11-12-26-13)19-22-23-20(24(19)6)27-14(2)18(25)15-7-9-16(10-8-15)21(3,4)5/h7-12,14H,1-6H3