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

Systemtic Name: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-tert-butylphenyl)methyleneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-tert-butylbenzylidene)amino]-3-m-phenetyl-1H-1,2,4-triazole-5-thione Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24N4OS/c1-5-26-18-8-6-7-16(13-18)19-23-24-20(27)25(19)22-14-15-9-11-17(12-10-15)21(2,3)4/h6-14H,5H2,1-4H3,(H,24,27)/b22-14+