2-[2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethylamino]ethanol

Systemtic Name: 2-[2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethylamino]ethanol Openeye Name: 2-[2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethylamino]ethanol CAS Name: 2-[2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethylamino]ethanol IUPAC Name: 2-[2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethylamino]ethanol Traditional Name: 2-[2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethylamino]ethanol Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCNCCO)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCNCCO)C3=CN=CC=C3

InChI

InChI=1S/C18H21N5OS/c1-14-5-2-3-7-16(14)23-17(15-6-4-8-20-13-15)21-22-18(23)25-12-10-19-9-11-24/h2-8,13,19,24H,9-12H2,1H3