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

Systemtic Name: 1-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetone Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)N(C)C)SCC(=O)C

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)N(C)C)SCC(=O)C

InChI

InChI=1S/C14H18N4OS/c1-10(19)9-20-14-16-15-11(2)18(14)13-7-5-12(6-8-13)17(3)4/h5-8H,9H2,1-4H3