4-methyl-6-[(2-nitrophenyl)methylsulfanyl]-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-methyl-6-[(2-nitrophenyl)methylsulfanyl]-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-methyl-6-[(2-nitrophenyl)methylsulfanyl]-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-methyl-6-[(2-nitrophenyl)methylthio]-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-methyl-6-[(2-nitrophenyl)methylsulfanyl]-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-methyl-6-[(2-nitrobenzyl)thio]-2-phenyl-pyrimidine-5-carbonitrile Formula: C19H14N4O2S MolecularWeight: 362.40506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C19H14N4O2S/c1-13-16(11-20)19(22-18(21-13)14-7-3-2-4-8-14)26-12-15-9-5-6-10-17(15)23(24)25/h2-10H,12H2,1H3