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

Systemtic Name: 6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-methyl-2-phenyl-4-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-methyl-2-phenyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 6-methyl-2-phenyl-4-thioxo-1H-pyrimidine-5-carbonitrile Formula: C12H9N3S MolecularWeight: 227.28496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C(=S)N=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C12H9N3S/c1-8-10(7-13)12(16)15-11(14-8)9-5-3-2-4-6-9/h2-6H,1H3,(H,14,15,16)