4-[6-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-yl]sulfonylmorpholine Openeye Name: 4-[[6-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-pyridyl]sulfonyl]morpholine CAS Name: 4-[[6-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-3-pyridinyl]sulfonyl]morpholine IUPAC Name: 4-[6-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-yl]sulfonylmorpholine Traditional Name: 4-[[6-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]-3-pyridyl]sulfonyl]morpholine Formula: C16H16N6O3S2 MolecularWeight: 404.46664

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C16H16N6O3S2/c23-27(24,22-7-9-25-10-8-22)13-1-2-14(18-11-13)26-16-19-15(20-21-16)12-3-5-17-6-4-12/h1-6,11H,7-10H2,(H,19,20,21)