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

Systemtic Name: 4-ethyl-5-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H23N4S+ MolecularWeight: 351.48842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4S/c1-2-23-19(17-9-4-3-5-10-17)21-24(20(23)25)15-22-13-12-16-8-6-7-11-18(16)14-22/h3-11H,2,12-15H2,1H3/p+1