2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[5-(7-methoxy-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O5S/c1-12-7-8-14(10-15(12)26(28)29)22-18(27)11-32-21-24-23-20(25(21)2)17-9-13-5-4-6-16(30-3)19(13)31-17/h4-10H,11H2,1-3H3,(H,22,27)