N-(3,4-dichlorophenyl)-4-isothiocyanato-5-nitro-pyrimidin-2-amine

Systemtic Name: N-(3,4-dichlorophenyl)-4-isothiocyanato-5-nitro-pyrimidin-2-amine Openeye Name: N-(3,4-dichlorophenyl)-4-isothiocyanato-5-nitro-pyrimidin-2-amine CAS Name: N-(3,4-dichlorophenyl)-4-isothiocyanato-5-nitro-2-pyrimidinamine IUPAC Name: N-(3,4-dichlorophenyl)-4-isothiocyanato-5-nitropyrimidin-2-amine Traditional Name: (3,4-dichlorophenyl)-(4-isothiocyanato-5-nitro-pyrimidin-2-yl)amine Formula: C11H5Cl2N5O2S MolecularWeight: 342.1607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC=C(C(=N2)N=C=S)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=C(C(=N2)N=C=S)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C11H5Cl2N5O2S/c12-7-2-1-6(3-8(7)13)16-11-14-4-9(18(19)20)10(17-11)15-5-21/h1-4H,(H,14,16,17)