(4R)-3-methylsulfanyl-4-oxidanyl-N-(propan-2-yldiazenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

Systemtic Name: (4R)-3-methylsulfanyl-4-oxidanyl-N-(propan-2-yldiazenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide Openeye Name: (4R)-4-hydroxy-N-isopropylazo-3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide CAS Name: (4R)-4-hydroxy-3-(methylthio)-N-propan-2-ylazo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide IUPAC Name: (4R)-4-hydroxy-3-methylsulfanyl-N-(propan-2-yldiazenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide Traditional Name: (4R)-4-hydroxy-N-isopropylazo-3-(methylthio)-4,5,6,7-tetrahydroisobenzothiophene-1-carboxamide Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=NNC(=O)C1=C2CCCC(C2=C(S1)SC)O

Isomeric SMILES

CC(C)N=NNC(=O)C1=C2CCC[C@H](C2=C(S1)SC)O

InChI

InChI=1S/C13H19N3O2S2/c1-7(2)14-16-15-12(18)11-8-5-4-6-9(17)10(8)13(19-3)20-11/h7,9,17H,4-6H2,1-3H3,(H,14,15,18)/t9-/m1/s1