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

Systemtic Name: (3-nitrophenyl)methyl N-[bis(azanyl)methylidene]carbamimidothioate Openeye Name: 1-(diaminomethylene)-2-[(3-nitrophenyl)methyl]isothiourea CAS Name: N-(diaminomethylidene)carbamimidothioic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl N-(diaminomethylidene)carbamimidothioate Traditional Name: 1-(diaminomethylene)-2-(3-nitrobenzyl)isothiourea Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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