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

Systemtic Name: 6-ethyl-5-phenyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 6-ethyl-5-phenyl-4-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 6-ethyl-5-phenyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile IUPAC Name: 6-ethyl-5-phenyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 6-ethyl-5-phenyl-4-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C15H12N4S MolecularWeight: 280.34758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1C3=CC=CC=C3)C(=S)N=CN2)C#N

Isomeric SMILES

CCC1=C(C2=C(N1C3=CC=CC=C3)C(=S)N=CN2)C#N

InChI

InChI=1S/C15H12N4S/c1-2-12-11(8-16)13-14(15(20)18-9-17-13)19(12)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3,(H,17,18,20)