N-aminocarbonyl-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: N-carbamoyl-2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide CAS Name: N-carbamoyl-2-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide Traditional Name: N-carbamoyl-2-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3-methyl-butyramide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1CC2=CC=CO2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1CC2=CC=CO2)C3=CC=CC=C3

InChI

InChI=1S/C19H21N5O3S/c1-12(2)15(17(25)21-18(20)26)28-19-23-22-16(13-7-4-3-5-8-13)24(19)11-14-9-6-10-27-14/h3-10,12,15H,11H2,1-2H3,(H3,20,21,25,26)