2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[[5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4CC4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4CC4)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-12-8-16(25(27)28)17(29-2)9-15(12)21-18(26)11-31-20-23-22-19(13-5-6-13)24(20)10-14-4-3-7-30-14/h3-4,7-9,13H,5-6,10-11H2,1-2H3,(H,21,26)