5-(4-bromophenyl)-4-cyclohexyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-bromophenyl)-4-cyclohexyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-bromophenyl)-4-cyclohexyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-bromophenyl)-4-cyclohexyl-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-bromophenyl)-4-cyclohexyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-bromophenyl)-4-cyclohexyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C19H26BrN4OS+ MolecularWeight: 438.40494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H25BrN4OS/c20-16-8-6-15(7-9-16)18-21-23(14-22-10-12-25-13-11-22)19(26)24(18)17-4-2-1-3-5-17/h6-9,17H,1-5,10-14H2/p+1