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

Systemtic Name: 4-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(5-bromo-2-methoxy-phenyl)methyleneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(5-bromo-2-methoxy-benzylidene)amino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H21BrN4OS/c1-20(2,3)15-7-5-13(6-8-15)18-23-24-19(27)25(18)22-12-14-11-16(21)9-10-17(14)26-4/h5-12H,1-4H3,(H,24,27)/b22-12+