2-[(1R)-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C18H15N5OS MolecularWeight: 349.4096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C18H15N5OS/c1-12(16-20-15-10-6-5-9-14(15)17(24)21-16)25-18-22-19-11-23(18)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,21,24)/t12-/m1/s1