2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C14H13N5O2S/c20-12-9-3-1-2-4-10(9)15-11(16-12)7-22-14-18-17-13(21)19(14)8-5-6-8/h1-4,8H,5-7H2,(H,17,21)(H,15,16,20)