N-(2-chloranyl-4-nitro-phenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]acetamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O4S/c1-27-14-4-2-3-12(9-14)22-8-7-20-18(22)28-11-17(24)21-16-6-5-13(23(25)26)10-15(16)19/h2-10H,11H2,1H3,(H,21,24)