3-(3-ethynylphenyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3-ethynylphenyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3-ethynylphenyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(3-ethynylphenyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3-ethynylphenyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-ethynylphenyl)-2-thioxo-1H-quinazolin-4-one Formula: C16H10N2OS MolecularWeight: 278.3284

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C16H10N2OS/c1-2-11-6-5-7-12(10-11)18-15(19)13-8-3-4-9-14(13)17-16(18)20/h1,3-10H,(H,17,20)