3-(2-methoxyphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-methoxyphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2-methoxyphenyl)-4-[(E)-(4-pentoxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-methoxyphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-methoxyphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-amoxybenzylidene)amino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC

InChI

InChI=1S/C21H24N4O2S/c1-3-4-7-14-27-17-12-10-16(11-13-17)15-22-25-20(23-24-21(25)28)18-8-5-6-9-19(18)26-2/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,24,28)/b22-15+