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

Systemtic Name: 4-ethyl-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-3-24-20(17-8-10-19(26-2)11-9-17)22-25(21(24)27)15-23-13-12-16-6-4-5-7-18(16)14-23/h4-11H,3,12-15H2,1-2H3/p+1