N'-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonyl-1-methyl-pyrrole-2-carbohydrazide

Systemtic Name: N'-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonyl-1-methyl-pyrrole-2-carbohydrazide Openeye Name: N'-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]-1-methyl-pyrrole-2-carbohydrazide CAS Name: N'-[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-methyl-2-pyrrolecarbohydrazide IUPAC Name: N'-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]-1-methylpyrrole-2-carbohydrazide Traditional Name: N'-[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]-1-methyl-pyrrole-2-carbohydrazide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CN1C=CC=C1C(=O)NNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N4O3S/c1-25-12-6-10-17(25)20(27)24-23-19(26)15-8-3-2-7-14(15)13-29-21-22-16-9-4-5-11-18(16)28-21/h2-12H,13H2,1H3,(H,23,26)(H,24,27)