N-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanamide Openeye Name: 2-(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)-N-(2-methyl-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-(2-methyl-4-oxo-3-quinazolinyl)-2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(2-methyl-4-oxoquinazolin-3-yl)-2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)acetamide Traditional Name: 2-(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)-N-(4-keto-2-methyl-quinazolin-3-yl)acetamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CN3C(=S)N(C(=N3)C4=CC=CC=C4)CC=C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CN3C(=S)N(C(=N3)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C22H20N6O2S/c1-3-13-26-20(16-9-5-4-6-10-16)25-27(22(26)31)14-19(29)24-28-15(2)23-18-12-8-7-11-17(18)21(28)30/h3-12H,1,13-14H2,2H3,(H,24,29)