4-(4-methylphenyl)-3-[(1-methylpyrrol-2-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(4-methylphenyl)-3-[(1-methylpyrrol-2-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 3-[(1-methylpyrrol-2-yl)methylsulfanyl]-5-phenyl-4-(p-tolyl)-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-[(1-methyl-2-pyrrolyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-[(1-methylpyrrol-2-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 3-[(1-methylpyrrol-2-yl)methylthio]-5-phenyl-4-(p-tolyl)-1,2,4-triazole Formula: C21H20N4S MolecularWeight: 360.4753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CN3C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CN3C)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4S/c1-16-10-12-18(13-11-16)25-20(17-7-4-3-5-8-17)22-23-21(25)26-15-19-9-6-14-24(19)2/h3-14H,15H2,1-2H3