4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholin-4-ium

Systemtic Name: 4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholin-4-ium Openeye Name: 4-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholin-4-ium CAS Name: 4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]morpholin-4-ium IUPAC Name: 4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholin-4-ium Traditional Name: 4-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]morpholin-4-ium Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1COCC[NH+]1CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C19H21N5OS/c1-2-4-17(5-3-1)24-18(16-6-8-20-9-7-16)21-22-19(24)26-15-12-23-10-13-25-14-11-23/h1-9H,10-15H2/p+1