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(5-nitro-2-oxidanyl-phenyl)methyl N-[bis(azanyl)methylidene]carbamimidothioate

(5-nitro-2-oxidanyl-phenyl)methyl N-[bis(azanyl)methylidene]carbamimidothioate

Systemtic Name:(5-nitro-2-oxidanyl-phenyl)methyl N-[bis(azanyl)methylidene]carbamimidothioate
Openeye Name:1-(diaminomethylene)-2-[(2-hydroxy-5-nitro-phenyl)methyl]isothiourea
CAS Name:N-(diaminomethylidene)carbamimidothioic acid (2-hydroxy-5-nitrophenyl)methyl ester
IUPAC Name:(2-hydroxy-5-nitrophenyl)methyl N-(diaminomethylidene)carbamimidothioate
Traditional Name:1-(diaminomethylene)-2-(2-hydroxy-5-nitro-benzyl)isothiourea
Formula: C9H11N5O3S
MolecularWeight: 269.28034
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H11N5O3S/c10-8(11)13-9(12)18-4-5-3-6(14(16)17)1-2-7(5)15/h1-3,15H,4H2,(H5,10,11,12,13)


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