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

Systemtic Name: 3-(4-dimethylaminophenyl)-4-[(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-dimethylaminophenyl)-4-[(4-pentoxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-dimethylaminophenyl)-4-[(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-dimethylaminophenyl)-4-[(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-amoxybenzylidene)amino]-3-(4-dimethylaminophenyl)-1H-1,2,4-triazole-5-thione Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5OS/c1-4-5-6-15-28-20-13-7-17(8-14-20)16-23-27-21(24-25-22(27)29)18-9-11-19(12-10-18)26(2)3/h7-14,16H,4-6,15H2,1-3H3,(H,25,29)