5-phenyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 5-phenyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-phenyl-4-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-phenyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile IUPAC Name: 5-phenyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-phenyl-4-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C13H8N4S MolecularWeight: 252.29442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C3=C2C(=S)N=CN3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C3=C2C(=S)N=CN3)C#N

InChI

InChI=1S/C13H8N4S/c14-6-9-7-17(10-4-2-1-3-5-10)12-11(9)15-8-16-13(12)18/h1-5,7-8H,(H,15,16,18)