3-phenyl-5-thiomorpholin-4-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide

Systemtic Name: 3-phenyl-5-thiomorpholin-4-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide Openeye Name: 3-phenyl-5-thiomorpholinosulfonyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide CAS Name: 3-phenyl-5-thiomorpholin-4-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide IUPAC Name: 3-phenyl-5-thiomorpholin-4-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide Traditional Name: 3-phenyl-5-thiomorpholinosulfonyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1S(=O)(=O)C2=CC(=CC(=C2)C(=O)NCCN3C=NC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CSCCN1S(=O)(=O)C2=CC(=CC(=C2)C(=O)NCCN3C=NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S2/c27-21(23-6-7-25-16-22-15-24-25)19-12-18(17-4-2-1-3-5-17)13-20(14-19)31(28,29)26-8-10-30-11-9-26/h1-5,12-16H,6-11H2,(H,23,27)