5-(3-bromophenyl)-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(3-bromophenyl)-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(3-bromophenyl)-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(3-bromophenyl)-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(3-bromophenyl)-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(3-bromophenyl)-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C19H20BrN4S+ MolecularWeight: 416.3579

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CC(=CC=C4)Br

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H19BrN4S/c1-22-18(15-7-4-8-17(20)11-15)21-24(19(22)25)13-23-10-9-14-5-2-3-6-16(14)12-23/h2-8,11H,9-10,12-13H2,1H3/p+1