5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-isobutyl-5-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-isobutyl-5-(4-methoxyphenyl)-2-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C18H26N4OS MolecularWeight: 346.49024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN(C1=S)CN2CCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=NN(C1=S)CN2CCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H26N4OS/c1-14(2)12-21-17(15-6-8-16(23-3)9-7-15)19-22(18(21)24)13-20-10-4-5-11-20/h6-9,14H,4-5,10-13H2,1-3H3