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

Systemtic Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-ethoxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-ethoxybenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24N4OS/c1-5-26-18-12-6-15(7-13-18)14-22-25-19(23-24-20(25)27)16-8-10-17(11-9-16)21(2,3)4/h6-14H,5H2,1-4H3,(H,24,27)/b22-14+