methyl N-nitro-N'-(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N-nitro-N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-methyl-1-nitro-isothiourea CAS Name: N-nitro-N'-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzyl-N-nitrocarbamimidothioate Traditional Name: 3-benzyl-2-methyl-1-nitro-isothiourea Formula: C9H11N3O2S MolecularWeight: 225.26754

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CC=C1)N[N+](=O)[O-]

Isomeric SMILES

CSC(=NCC1=CC=CC=C1)N[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O2S/c1-15-9(11-12(13)14)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)