5-(4-chlorophenyl)-2-(morpholin-4-ylmethyl)-4-octyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-chlorophenyl)-2-(morpholin-4-ylmethyl)-4-octyl-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-2-(morpholinomethyl)-4-octyl-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-2-(4-morpholinylmethyl)-4-octyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-2-(morpholin-4-ylmethyl)-4-octyl-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-2-(morpholinomethyl)-4-octyl-1,2,4-triazole-3-thione Formula: C21H31ClN4OS MolecularWeight: 423.01504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN(C1=S)CN2CCOCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN(C1=S)CN2CCOCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H31ClN4OS/c1-2-3-4-5-6-7-12-25-20(18-8-10-19(22)11-9-18)23-26(21(25)28)17-24-13-15-27-16-14-24/h8-11H,2-7,12-17H2,1H3