2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(4-morpholinylsulfonyl)-1,3-benzoxazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)thio]methyl]benzonitrile Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=CC=C4C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C19H17N3O4S2/c20-12-14-3-1-2-4-15(14)13-27-19-21-17-11-16(5-6-18(17)26-19)28(23,24)22-7-9-25-10-8-22/h1-6,11H,7-10,13H2