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

Systemtic Name: 4-methyl-5-(2-methylfuran-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(2-methyl-3-furyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(2-methyl-3-furanyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-(2-methylfuran-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(2-methyl-3-furyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H21N4OS+ MolecularWeight: 341.45054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2C)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2C)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H20N4OS/c1-13-16(8-10-23-13)17-19-22(18(24)20(17)2)12-21-9-7-14-5-3-4-6-15(14)11-21/h3-6,8,10H,7,9,11-12H2,1-2H3/p+1