5-(2-methoxyphenyl)-4-methyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-methoxyphenyl)-4-methyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-methoxyphenyl)-4-methyl-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methoxyphenyl)-4-methyl-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methoxyphenyl)-4-methyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-methoxyphenyl)-4-methyl-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCCC2C3=CN=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCCC2C3=CN=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C20H23N5OS/c1-23-19(16-8-3-4-10-18(16)26-2)22-25(20(23)27)14-24-12-6-9-17(24)15-7-5-11-21-13-15/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3