4-(3,4-dimethoxyphenyl)-3-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethoxyphenyl)-3-isopropylsulfanyl-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-5-(propan-2-ylthio)-1,2,4-triazole IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethoxyphenyl)-3-(isopropylthio)-5-phenyl-1,2,4-triazole Formula: C19H21N3O2S MolecularWeight: 355.45394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)SC1=NN=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-13(2)25-19-21-20-18(14-8-6-5-7-9-14)22(19)15-10-11-16(23-3)17(12-15)24-4/h5-13H,1-4H3