2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-quinazolin-4-one

Systemtic Name: 2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-quinazolin-4-one Openeye Name: 2-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-1H-quinazolin-4-one CAS Name: 2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-quinazolin-4-one IUPAC Name: 2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1H-quinazolin-4-one Traditional Name: 2-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-1H-quinazolin-4-one Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C=CCN1C(=NNC1=S)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C13H11N5OS/c1-2-7-18-11(16-17-13(18)20)10-14-9-6-4-3-5-8(9)12(19)15-10/h2-6H,1,7H2,(H,17,20)(H,14,15,19)