6-phenyl-2-propoxy-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-phenyl-2-propoxy-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-phenyl-2-propoxy-4-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-phenyl-2-propoxy-4-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-phenyl-2-propoxy-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 6-phenyl-2-propoxy-4-thioxo-1H-pyrimidine-5-carbonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=S)C(=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCOC1=NC(=S)C(=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C14H13N3OS/c1-2-8-18-14-16-12(10-6-4-3-5-7-10)11(9-15)13(19)17-14/h3-7H,2,8H2,1H3,(H,16,17,19)