2-methylsulfanyl-4-(3-nitrophenyl)-6-[(triphenyl-$l^{5}-phosphanylidene)methyl]pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-(3-nitrophenyl)-6-[(triphenyl-$l^{5}-phosphanylidene)methyl]pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(3-nitrophenyl)-6-[(triphenyl-$l^{5}-phosphanylidene)methyl]pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-(3-nitrophenyl)-6-(triphenylphosphoranylidenemethyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-methylsulfanyl-4-(3-nitrophenyl)-6-[(triphenyl-$l^{5}-phosphanylidene)methyl]pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(3-nitrophenyl)-6-(triphenylphosphoranylidenemethyl)pyrimidine-5-carbonitrile Formula: C31H23N4O2PS MolecularWeight: 546.578681

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(=C(C(=N1)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H23N4O2PS/c1-39-31-33-29(28(21-32)30(34-31)23-12-11-13-24(20-23)35(36)37)22-38(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-20,22H,1H3