S-(6-nitro-1H-benzimidazol-2-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate

Systemtic Name: S-(6-nitro-1H-benzimidazol-2-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Openeye Name: S-(6-nitro-1H-benzimidazol-2-yl) 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarbothioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester IUPAC Name: S-(6-nitro-1H-benzimidazol-2-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester Formula: C18H11ClN4O4S MolecularWeight: 414.82234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11ClN4O4S/c1-9-15(16(22-27-9)11-4-2-3-5-12(11)19)17(24)28-18-20-13-7-6-10(23(25)26)8-14(13)21-18/h2-8H,1H3,(H,20,21)