N'-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N'-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-[2-(4-chlorophenyl)sulfanyl-5-nitro-benzoyl]-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-oxomethyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-[2-(4-chlorophenyl)sulfanyl-5-nitrobenzoyl]-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-[2-[(4-chlorophenyl)thio]-5-nitro-benzoyl]-1,3-benzodioxole-5-carbohydrazide Formula: C21H14ClN3O6S MolecularWeight: 471.87036

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O6S/c22-13-2-5-15(6-3-13)32-19-8-4-14(25(28)29)10-16(19)21(27)24-23-20(26)12-1-7-17-18(9-12)31-11-30-17/h1-10H,11H2,(H,23,26)(H,24,27)