4-cyclopropyl-2-[[methyl(2-phenoxyethyl)amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[[methyl(2-phenoxyethyl)amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[methyl(2-phenoxyethyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[methyl(2-phenoxyethyl)amino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[methyl(2-phenoxyethyl)amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[methyl(2-phenoxyethyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

Isomeric SMILES

CN(CCOC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

InChI

InChI=1S/C20H23N5OS/c1-23(12-13-26-18-7-3-2-4-8-18)15-24-20(27)25(17-9-10-17)19(22-24)16-6-5-11-21-14-16/h2-8,11,14,17H,9-10,12-13,15H2,1H3