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

Systemtic Name: N-[[5-butylsulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[5-butylsulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-(butylthio)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-butylsulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[5-(butylthio)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C18H18Cl2N4O2S MolecularWeight: 425.33212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)CNC(=O)C3=CC=CO3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C18H18Cl2N4O2S/c1-2-3-9-27-18-23-22-16(11-21-17(25)15-5-4-8-26-15)24(18)12-6-7-13(19)14(20)10-12/h4-8,10H,2-3,9,11H2,1H3,(H,21,25)