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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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