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

Systemtic Name: 1-(4-methoxyphenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-methoxyphenyl)-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-methoxyphenyl)-2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-methoxyphenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-methoxyphenyl)-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C18H19N3O3S MolecularWeight: 357.42676

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-11-15(9-10-24-11)17-19-20-18(21(17)3)25-12(2)16(22)13-5-7-14(23-4)8-6-13/h5-10,12H,1-4H3