4-oxidanylidene-2-(3-phenoxypropylsulfanyl)-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-2-(3-phenoxypropylsulfanyl)-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-(3-phenoxypropylsulfanyl)-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-(3-phenoxypropylthio)-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-(3-phenoxypropylsulfanyl)-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(3-phenoxypropylthio)-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C20H17N3O2S MolecularWeight: 363.43288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCOC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCOC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17N3O2S/c21-14-17-18(15-8-3-1-4-9-15)22-20(23-19(17)24)26-13-7-12-25-16-10-5-2-6-11-16/h1-6,8-11H,7,12-13H2,(H,22,23,24)