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

Systemtic Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-pentoxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-amoxybenzylidene)amino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-5-6-7-16-29-21-14-8-18(9-15-21)17-25-28-22(26-27-23(28)30)19-10-12-20(13-11-19)24(2,3)4/h8-15,17H,5-7,16H2,1-4H3,(H,27,30)/b25-17+