(4-chloranyl-2-nitro-phenyl)methyl N-[bis(azanyl)methylidene]carbamimidothioate

Systemtic Name: (4-chloranyl-2-nitro-phenyl)methyl N-[bis(azanyl)methylidene]carbamimidothioate Openeye Name: 2-[(4-chloro-2-nitro-phenyl)methyl]-1-(diaminomethylene)isothiourea CAS Name: N-(diaminomethylidene)carbamimidothioic acid (4-chloro-2-nitrophenyl)methyl ester IUPAC Name: (4-chloro-2-nitrophenyl)methyl N-(diaminomethylidene)carbamimidothioate Traditional Name: 2-(4-chloro-2-nitro-benzyl)-1-(diaminomethylene)isothiourea Formula: C9H10ClN5O2S MolecularWeight: 287.726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])CSC(=N)N=C(N)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])CSC(=N)N=C(N)N

InChI

InChI=1S/C9H10ClN5O2S/c10-6-2-1-5(7(3-6)15(16)17)4-18-9(13)14-8(11)12/h1-3H,4H2,(H5,11,12,13,14)