5-(4-ethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-ethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethoxyphenyl)-2-(morpholinomethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(4-ethoxyphenyl)-2-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethoxyphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-(morpholinomethyl)-4-phenyl-5-p-phenetyl-1,2,4-triazole-3-thione Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCOCC4

InChI

InChI=1S/C21H24N4O2S/c1-2-27-19-10-8-17(9-11-19)20-22-24(16-23-12-14-26-15-13-23)21(28)25(20)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3