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

Systemtic Name: 2-[1-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C20H19N5O2S MolecularWeight: 393.46216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2S/c1-13(17-21-16-10-6-5-9-15(16)18(26)22-17)28-20-24-23-19(27)25(20)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,23,27)(H,21,22,26)