2-(morpholin-4-ylmethyl)-4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-(morpholin-4-ylmethyl)-4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-isopropylphenyl)-2-(morpholinomethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-(4-morpholinylmethyl)-4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-(morpholin-4-ylmethyl)-4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-(morpholinomethyl)-4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)CN3CCOCC3)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)CN3CCOCC3)C4=CN=CC=C4

InChI

InChI=1S/C21H25N5OS/c1-16(2)18-7-3-4-8-19(18)26-20(17-6-5-9-22-14-17)23-25(21(26)28)15-24-10-12-27-13-11-24/h3-9,14,16H,10-13,15H2,1-2H3