4-ethyl-5-(phenylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-5-(phenylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(phenylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4S/c1-2-24-20(14-17-8-4-3-5-9-17)22-25(21(24)26)16-23-13-12-18-10-6-7-11-19(18)15-23/h3-11H,2,12-16H2,1H3/p+1