2-phenyl-4-(phenylmethylsulfanyl)-6-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-phenyl-4-(phenylmethylsulfanyl)-6-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-benzylsulfanyl-2-phenyl-6-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-phenyl-4-(phenylmethylthio)-6-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-benzylsulfanyl-2-phenyl-6-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 4-(benzylthio)-2-phenyl-6-thioxo-1H-pyrimidine-5-carbonitrile Formula: C18H13N3S2 MolecularWeight: 335.44592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=S)NC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=S)NC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H13N3S2/c19-11-15-17(22)20-16(14-9-5-2-6-10-14)21-18(15)23-12-13-7-3-1-4-8-13/h1-10H,12H2,(H,20,21,22)