3-[3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 3-[3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxopropyl]quinazolin-4-one Traditional Name: 3-[2-keto-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propyl]quinazolin-4-one Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17N5O2S/c1-14-22-23-20(25(14)15-7-3-2-4-8-15)28-12-16(26)11-24-13-21-18-10-6-5-9-17(18)19(24)27/h2-10,13H,11-12H2,1H3