2-[2-[2-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]hydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[2-[2-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]hydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazino]-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-2-oxoethyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[2-[N'-(4-bromo-1H-pyrrole-2-carbonyl)hydrazino]-2-keto-ethyl]thio]-N-(m-tolyl)acetamide Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NNC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NNC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C16H17BrN4O3S/c1-10-3-2-4-12(5-10)19-14(22)8-25-9-15(23)20-21-16(24)13-6-11(17)7-18-13/h2-7,18H,8-9H2,1H3,(H,19,22)(H,20,23)(H,21,24)