N'-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyl-4-nitro-1H-pyrrole-2-carbohydrazide

Systemtic Name: N'-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyl-4-nitro-1H-pyrrole-2-carbohydrazide Openeye Name: N'-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]-4-nitro-1H-pyrrole-2-carbohydrazide CAS Name: N'-[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]-4-nitro-1H-pyrrole-2-carbohydrazide IUPAC Name: N'-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]-4-nitro-1H-pyrrole-2-carbohydrazide Traditional Name: N'-[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]-4-nitro-1H-pyrrole-2-carbohydrazide Formula: C20H15N5O4S2 MolecularWeight: 453.4942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NNC(=O)C4=CC(=CN4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NNC(=O)C4=CC(=CN4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O4S2/c26-18(23-24-19(27)16-9-14(10-21-16)25(28)29)13-7-5-12(6-8-13)11-30-20-22-15-3-1-2-4-17(15)31-20/h1-10,21H,11H2,(H,23,26)(H,24,27)