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

Systemtic Name: 5-(4-bromophenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-bromophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-bromophenyl)-2-(4-morpholin-4-iumylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-bromophenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-bromophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C16H20BrN4OS+ MolecularWeight: 396.3252

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H19BrN4OS/c1-2-7-20-15(13-3-5-14(17)6-4-13)18-21(16(20)23)12-19-8-10-22-11-9-19/h2-6H,1,7-12H2/p+1