3-(oxolan-2-ylmethyl)-2-[(2-phenyl-1,2,3-triazol-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(oxolan-2-ylmethyl)-2-[(2-phenyl-1,2,3-triazol-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(2-phenyltriazol-4-yl)methylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 3-(2-oxolanylmethyl)-2-[(2-phenyl-4-triazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(oxolan-2-ylmethyl)-2-[(2-phenyltriazol-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2-phenyltriazol-4-yl)methylthio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C22H21N5O2S MolecularWeight: 419.49944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2S/c28-21-19-10-4-5-11-20(19)24-22(26(21)14-18-9-6-12-29-18)30-15-16-13-23-27(25-16)17-7-2-1-3-8-17/h1-5,7-8,10-11,13,18H,6,9,12,14-15H2