5-[(4-butoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-butoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(4-butoxyphenyl)methyl]-2-(morpholinomethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(4-butoxyphenyl)methyl]-2-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-butoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(4-butoxybenzyl)-2-(morpholinomethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NN(C(=S)N2C3=CC=CC=C3)CN4CCOCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NN(C(=S)N2C3=CC=CC=C3)CN4CCOCC4

InChI

InChI=1S/C24H30N4O2S/c1-2-3-15-30-22-11-9-20(10-12-22)18-23-25-27(19-26-13-16-29-17-14-26)24(31)28(23)21-7-5-4-6-8-21/h4-12H,2-3,13-19H2,1H3