[2-[[4-azanyl-3,5-bis(chloranyl)phenyl]amino]-5-nitro-pyrimidin-4-yl] thiocyanate

Systemtic Name: [2-[[4-azanyl-3,5-bis(chloranyl)phenyl]amino]-5-nitro-pyrimidin-4-yl] thiocyanate Openeye Name: [2-(4-amino-3,5-dichloro-anilino)-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [2-(4-amino-3,5-dichloroanilino)-5-nitro-4-pyrimidinyl] ester IUPAC Name: [2-(4-amino-3,5-dichloroanilino)-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [2-(4-amino-3,5-dichloro-anilino)-5-nitro-pyrimidin-4-yl] ester Formula: C11H6Cl2N6O2S MolecularWeight: 357.17534

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N)Cl)NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N)Cl)NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C11H6Cl2N6O2S/c12-6-1-5(2-7(13)9(6)15)17-11-16-3-8(19(20)21)10(18-11)22-4-14/h1-3H,15H2,(H,16,17,18)