4-[(E)-(4-pentoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(4-pentoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-pentoxyphenyl)methyleneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-pentoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-pentoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-amoxybenzylidene)amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)COC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-2-3-7-14-26-19-12-10-17(11-13-19)15-22-25-20(23-24-21(25)28)16-27-18-8-5-4-6-9-18/h4-6,8-13,15H,2-3,7,14,16H2,1H3,(H,24,28)/b22-15+