S-(4-azanyl-3-nitro-phenyl) carbamothioate

Systemtic Name: S-(4-azanyl-3-nitro-phenyl) carbamothioate Openeye Name: S-(4-amino-3-nitro-phenyl) carbamothioate CAS Name: carbamothioic acid S-(4-amino-3-nitrophenyl) ester IUPAC Name: S-(4-amino-3-nitrophenyl) carbamothioate Traditional Name: thiocarbamic acid S-(4-amino-3-nitro-phenyl) ester Formula: C7H7N3O3S MolecularWeight: 213.21378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC(=O)N)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1SC(=O)N)[N+](=O)[O-])N

InChI

InChI=1S/C7H7N3O3S/c8-5-2-1-4(14-7(9)11)3-6(5)10(12)13/h1-3H,8H2,(H2,9,11)