2-[[4-(2,5-dimethylphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[4-(2,5-dimethylphenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[4-(2,5-dimethylphenyl)-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-(2,5-dimethylphenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC)C3=CC=CO3

InChI

InChI=1S/C17H18N4O2S/c1-11-6-7-12(2)13(9-11)21-16(14-5-4-8-23-14)19-20-17(21)24-10-15(22)18-3/h4-9H,10H2,1-3H3,(H,18,22)