1-(3,4-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3,4-dimethylphenyl)-2-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dimethylphenyl)-2-[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3,4-dimethylphenyl)-2-[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C(C)C)C

InChI

InChI=1S/C20H23N3O2S/c1-13(2)19-21-22-20(23(19)11-17-6-5-9-25-17)26-12-18(24)16-8-7-14(3)15(4)10-16/h5-10,13H,11-12H2,1-4H3