2-[2-methyl-6-oxidanylidene-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-yl]sulfanylethanenitrile

Systemtic Name: 2-[2-methyl-6-oxidanylidene-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-yl]sulfanylethanenitrile Openeye Name: 2-[2-methyl-6-oxo-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-yl]sulfanylacetonitrile CAS Name: 2-[(2-methyl-6-oxo-5-triphenylphosphoranylidene-4-pyrimidinyl)thio]acetonitrile IUPAC Name: 2-[2-methyl-6-oxo-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-yl]sulfanylacetonitrile Traditional Name: 2-[(6-keto-2-methyl-5-triphenylphosphoranylidene-pyrimidin-4-yl)thio]acetonitrile Formula: C25H20N3OPS MolecularWeight: 441.484561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=N1)SCC#N

Isomeric SMILES

CC1=NC(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=N1)SCC#N

InChI

InChI=1S/C25H20N3OPS/c1-19-27-24(29)23(25(28-19)31-18-17-26)30(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,18H2,1H3