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

Systemtic Name: 3-(4-tert-butylphenyl)-4-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-tert-butylphenyl)-4-[(E)-(3-phenoxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-tert-butylphenyl)-4-[(E)-(3-phenoxybenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H24N4OS/c1-25(2,3)20-14-12-19(13-15-20)23-27-28-24(31)29(23)26-17-18-8-7-11-22(16-18)30-21-9-5-4-6-10-21/h4-17H,1-3H3,(H,28,31)/b26-17+