1-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(3-pyridyl)thiourea CAS Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-pyridin-3-ylthiourea Traditional Name: 1-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-(3-pyridyl)thiourea Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=S)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CN=C1)NC(=S)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H16N4O4S/c20-9-13(18-15(24)17-11-2-1-7-16-8-11)14(21)10-3-5-12(6-4-10)19(22)23/h1-8,13-14,20-21H,9H2,(H2,17,18,24)