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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[[5-[(4-isopropylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[[5-[(4-isopropylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22ClN5O4S MolecularWeight: 475.94848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN5O4S/c1-13(2)14-4-7-16(8-5-14)31-11-19-24-25-21(26(19)3)32-12-20(28)23-18-10-15(27(29)30)6-9-17(18)22/h4-10,13H,11-12H2,1-3H3,(H,23,28)