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

Systemtic Name: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-tert-butylphenyl)methyleneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-tert-butylbenzylidene)amino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-20(2,3)16-10-8-14(9-11-16)13-21-24-18(22-23-19(24)26)15-6-5-7-17(12-15)25-4/h5-13H,1-4H3,(H,23,26)/b21-13+