5-phenyl-3-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]quinazoline

Systemtic Name: 5-phenyl-3-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]quinazoline Openeye Name: 3-benzylsulfanyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline CAS Name: 5-phenyl-3-(phenylmethylthio)-[1,2,4]triazolo[4,3-c]quinazoline IUPAC Name: 3-benzylsulfanyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline Traditional Name: 3-(benzylthio)-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline Formula: C22H16N4S MolecularWeight: 368.45424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C3N2C(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C3N2C(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C22H16N4S/c1-3-9-16(10-4-1)15-27-22-25-24-21-18-13-7-8-14-19(18)23-20(26(21)22)17-11-5-2-6-12-17/h1-14H,15H2