4-oxidanylidene-7-phenyl-3,5,6,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carbonitrile

Systemtic Name: 4-oxidanylidene-7-phenyl-3,5,6,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carbonitrile Openeye Name: 4-oxo-7-phenyl-3,5,6,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-7-carbonitrile CAS Name: 4-oxo-7-phenyl-3,5,6,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carbonitrile IUPAC Name: 4-oxo-7-phenyl-3,5,6,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carbonitrile Traditional Name: 4-keto-7-phenyl-3,5,6,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-7-carbonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2=C1C3=C(S2)N=CNC3=O)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1CC(CC2=C1C3=C(S2)N=CNC3=O)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C17H13N3OS/c18-9-17(11-4-2-1-3-5-11)7-6-12-13(8-17)22-16-14(12)15(21)19-10-20-16/h1-5,10H,6-8H2,(H,19,20,21)