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

Systemtic Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Openeye Name: 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)-1-propanone IUPAC Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Traditional Name: 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)propan-1-one Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=C(OC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=C(OC=C3)C

InChI

InChI=1S/C18H19N3O2S/c1-11-5-7-14(8-6-11)16(22)13(3)24-18-20-19-17(21(18)4)15-9-10-23-12(15)2/h5-10,13H,1-4H3