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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14ClN5O3S/c1-22-16(11-5-3-2-4-6-11)20-21-17(22)27-10-15(24)19-12-7-8-13(18)14(9-12)23(25)26/h2-9H,10H2,1H3,(H,19,24)