2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-furfurylcarbamoyl)acetamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N5O4S/c1-3-4-11-26-19(15-7-9-16(29-2)10-8-15)24-25-21(26)31-14-18(27)23-20(28)22-13-17-6-5-12-30-17/h5-10,12H,3-4,11,13-14H2,1-2H3,(H2,22,23,27,28)