7-tert-butyl-3-phenyl-2-sulfanylidene-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-tert-butyl-3-phenyl-2-sulfanylidene-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 7-tert-butyl-3-phenyl-2-thioxo-1H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-tert-butyl-3-phenyl-2-sulfanylidene-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-tert-butyl-3-phenyl-2-sulfanylidene-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 7-tert-butyl-3-phenyl-2-thioxo-1H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C20H18N2OS2 MolecularWeight: 366.49972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C3=C(S2)NC(=S)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C3=C(S2)NC(=S)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18N2OS2/c1-20(2,3)12-9-10-14-15(11-12)25-17-16(14)18(23)22(19(24)21-17)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,24)