2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitrophenyl)acetamide IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: 2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O4S/c1-14-8-9-18(19(12-14)27(29)30)23-20(28)13-32-22-25-24-21(17-10-11-31-15(17)2)26(22)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,23,28)