3-[5-methoxy-2-methyl-1-(4-methylphenyl)indol-3-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[5-methoxy-2-methyl-1-(4-methylphenyl)indol-3-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[5-methoxy-2-methyl-1-(p-tolyl)indol-3-yl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[5-methoxy-2-methyl-1-(4-methylphenyl)-3-indolyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[5-methoxy-2-methyl-1-(4-methylphenyl)indol-3-yl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[5-methoxy-2-methyl-1-(p-tolyl)indol-3-yl]-1H-1,2,4-triazole-5-thione Formula: C22H22N4OS MolecularWeight: 390.50128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OC)C4=NNC(=S)N4CC=C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OC)C4=NNC(=S)N4CC=C)C

InChI

InChI=1S/C22H22N4OS/c1-5-12-25-21(23-24-22(25)28)20-15(3)26(16-8-6-14(2)7-9-16)19-11-10-17(27-4)13-18(19)20/h5-11,13H,1,12H2,2-4H3,(H,24,28)