4-[2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine

Systemtic Name: 4-[2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine Openeye Name: 4-[2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine CAS Name: 4-[2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]morpholine IUPAC Name: 4-[2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine Traditional Name: 4-[2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]morpholine Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1COCCN1CCSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H25N5OS/c1-2-4-18(5-3-1)8-11-26-20(19-6-9-22-10-7-19)23-24-21(26)28-17-14-25-12-15-27-16-13-25/h1-7,9-10H,8,11-17H2