1-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-nitrophenyl)thiourea Formula: C12H10BrN5O3S MolecularWeight: 384.2085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NNC(=O)C2=CC(=CN2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NNC(=O)C2=CC(=CN2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H10BrN5O3S/c13-7-5-10(14-6-7)11(19)16-17-12(22)15-8-1-3-9(4-2-8)18(20)21/h1-6,14H,(H,16,19)(H2,15,17,22)