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(4-nitrophenyl)methyl N-[bis(azanyl)methylidene]carbamimidothioate

(4-nitrophenyl)methyl N-[bis(azanyl)methylidene]carbamimidothioate

Systemtic Name:(4-nitrophenyl)methyl N-[bis(azanyl)methylidene]carbamimidothioate
Openeye Name:1-(diaminomethylene)-2-[(4-nitrophenyl)methyl]isothiourea
CAS Name:N-(diaminomethylidene)carbamimidothioic acid (4-nitrophenyl)methyl ester
IUPAC Name:(4-nitrophenyl)methyl N-(diaminomethylidene)carbamimidothioate
Traditional Name:1-(diaminomethylene)-2-(4-nitrobenzyl)isothiourea
Formula: C9H11N5O2S
MolecularWeight: 253.28094
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=N)N=C(N)N)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1CSC(=N)N=C(N)N)[N+](=O)[O-]


InChI

InChI=1S/C9H11N5O2S/c10-8(11)13-9(12)17-5-6-1-3-7(4-2-6)14(15)16/h1-4H,5H2,(H5,10,11,12,13)


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