2-[(2-nitrophenyl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 2-[(2-nitrophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 2-[(2-nitrophenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 2-[(2-nitrophenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-[(2-nitrophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 2-[(2-nitrobenzyl)thio]pyrimidine-5-carbonitrile Formula: C12H8N4O2S MolecularWeight: 272.28252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N4O2S/c13-5-9-6-14-12(15-7-9)19-8-10-3-1-2-4-11(10)16(17)18/h1-4,6-7H,8H2