N-(5-chloranyl-2-methyl-phenyl)-2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20ClN5O4S MolecularWeight: 461.9219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CCOC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CCOC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN5O4S/c1-13-6-7-15(21)11-17(13)22-18(27)12-31-20-24-23-19(25(20)8-9-30-2)14-4-3-5-16(10-14)26(28)29/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,27)