3-ethyl-N-(3-ethynylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-(3-ethynylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-(3-ethynylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-(3-ethynylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-(3-ethynylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-N-(3-ethynylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#C)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#C)NC1=S

InChI

InChI=1S/C19H15N3O2S/c1-3-12-6-5-7-14(10-12)20-17(23)13-8-9-15-16(11-13)21-19(25)22(4-2)18(15)24/h1,5-11H,4H2,2H3,(H,20,23)(H,21,25)