5-[4-(4-bromophenyl)sulfonylphenyl]-2-(morpholin-4-ylmethyl)-4-propyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylphenyl]-2-(morpholin-4-ylmethyl)-4-propyl-1,2,4-triazole-3-thione Openeye Name: 5-[4-(4-bromophenyl)sulfonylphenyl]-2-(morpholinomethyl)-4-propyl-1,2,4-triazole-3-thione CAS Name: 5-[4-(4-bromophenyl)sulfonylphenyl]-2-(4-morpholinylmethyl)-4-propyl-1,2,4-triazole-3-thione IUPAC Name: 5-[4-(4-bromophenyl)sulfonylphenyl]-2-(morpholin-4-ylmethyl)-4-propyl-1,2,4-triazole-3-thione Traditional Name: 5-(4-brosylphenyl)-2-(morpholinomethyl)-4-propyl-1,2,4-triazole-3-thione Formula: C22H25BrN4O3S2 MolecularWeight: 537.4929

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN2CCOCC2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCN1C(=NN(C1=S)CN2CCOCC2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H25BrN4O3S2/c1-2-11-26-21(24-27(22(26)31)16-25-12-14-30-15-13-25)17-3-7-19(8-4-17)32(28,29)20-9-5-18(23)6-10-20/h3-10H,2,11-16H2,1H3