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

Systemtic Name: 3-(2-methylphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(o-tolyl)-4-[(E)-(4-pentoxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-methylphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-methylphenyl)-4-[(E)-(4-pentoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-amoxybenzylidene)amino]-3-(o-tolyl)-1H-1,2,4-triazole-5-thione Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3C

InChI

InChI=1S/C21H24N4OS/c1-3-4-7-14-26-18-12-10-17(11-13-18)15-22-25-20(23-24-21(25)27)19-9-6-5-8-16(19)2/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,24,27)/b22-15+