3-[(4-tert-butylphenoxy)methyl]-4-[(2,5-dimethylpyrrol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-4-[(2,5-dimethylpyrrol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-4-[(2,5-dimethylpyrrol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-tert-butylphenoxy)methyl]-4-[(2,5-dimethyl-3-pyrrolylidene)methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-4-[(2,5-dimethylpyrrol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-tert-butylphenoxy)methyl]-4-[(2,5-dimethylpyrrol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNN2C(=NNC2=S)COC3=CC=C(C=C3)C(C)(C)C)C(=N1)C

Isomeric SMILES

CC1=CC(=CNN2C(=NNC2=S)COC3=CC=C(C=C3)C(C)(C)C)C(=N1)C

InChI

InChI=1S/C20H25N5OS/c1-13-10-15(14(2)22-13)11-21-25-18(23-24-19(25)27)12-26-17-8-6-16(7-9-17)20(3,4)5/h6-11,21H,12H2,1-5H3,(H,24,27)