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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C19H15N5O4S MolecularWeight: 409.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S/c1-11-6-7-13(9-14(11)24(26)27)20-17(25)10-29-19-21-18(22-23-19)16-8-12-4-2-3-5-15(12)28-16/h2-9H,10H2,1H3,(H,20,25)(H,21,22,23)