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

Systemtic Name: 4-[6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-yl]sulfonylmorpholine Openeye Name: 4-[[6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-pyridyl]sulfonyl]morpholine CAS Name: 4-[[6-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-3-pyridinyl]sulfonyl]morpholine IUPAC Name: 4-[6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-yl]sulfonylmorpholine Traditional Name: 4-[[6-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-3-pyridyl]sulfonyl]morpholine Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S2/c23-27(24,22-8-10-25-11-9-22)14-6-7-15(18-12-14)26-17-19-16(20-21-17)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,19,20,21)