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

Systemtic Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-propoxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-propoxybenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H26N4OS/c1-5-14-27-19-12-6-16(7-13-19)15-23-26-20(24-25-21(26)28)17-8-10-18(11-9-17)22(2,3)4/h6-13,15H,5,14H2,1-4H3,(H,25,28)/b23-15+