methyl N-(3-nitrophenyl)-N'-(4-nitrophenyl)carbamimidothioate

Systemtic Name: methyl N-(3-nitrophenyl)-N'-(4-nitrophenyl)carbamimidothioate Openeye Name: 2-methyl-1-(3-nitrophenyl)-3-(4-nitrophenyl)isothiourea CAS Name: N-(3-nitrophenyl)-N'-(4-nitrophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(3-nitrophenyl)-N'-(4-nitrophenyl)carbamimidothioate Traditional Name: 2-methyl-1-(3-nitrophenyl)-3-(4-nitrophenyl)isothiourea Formula: C14H12N4O4S MolecularWeight: 332.33448

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=C(C=C1)[N+](=O)[O-])NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC(=NC1=CC=C(C=C1)[N+](=O)[O-])NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O4S/c1-23-14(15-10-5-7-12(8-6-10)17(19)20)16-11-3-2-4-13(9-11)18(21)22/h2-9H,1H3,(H,15,16)