N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[5-[(4-chlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC(=O)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C16H15ClN4O2S/c1-21-14(9-18-15(22)13-3-2-8-23-13)19-20-16(21)24-10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3,(H,18,22)