2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)NC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN4O2S/c1-12(2)20-16(24)11-26-18-22-21-17(13-5-7-14(19)8-6-13)23(18)10-15-4-3-9-25-15/h3-9,12H,10-11H2,1-2H3,(H,20,24)