5-[2,3-bis(chloranyl)phenyl]-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]furan-2-carboxamide

Systemtic Name: 5-[2,3-bis(chloranyl)phenyl]-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]furan-2-carboxamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-(2,3-dichlorophenyl)furan-2-carboxamide CAS Name: 5-(2,3-dichlorophenyl)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-2-furancarboxamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-(2,3-dichlorophenyl)furan-2-carboxamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-5-(2,3-dichlorophenyl)-2-furamide Formula: C21H16Cl2N4O2S MolecularWeight: 459.34834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C21H16Cl2N4O2S/c1-13-24-25-21(30-12-14-6-3-2-4-7-14)27(13)26-20(28)18-11-10-17(29-18)15-8-5-9-16(22)19(15)23/h2-11H,12H2,1H3,(H,26,28)