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

Systemtic Name: 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C19H17N5O2S MolecularWeight: 379.43558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H17N5O2S/c25-17-14-8-4-5-9-15(14)20-16(21-17)12-27-19-23-22-18(26)24(19)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,26)(H,20,21,25)