4-azanyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(3-nitrophenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(3-nitrobenzyl)thio]pyrimidine-5-carbonitrile Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C12H9N5O2S/c13-5-9-6-15-12(16-11(9)14)20-7-8-2-1-3-10(4-8)17(18)19/h1-4,6H,7H2,(H2,14,15,16)