(1E)-1-nitroso-2-(3-phenylpropylsulfanyl)-5,6-dihydro-4H-3-benzothiocine

Systemtic Name: (1E)-1-nitroso-2-(3-phenylpropylsulfanyl)-5,6-dihydro-4H-3-benzothiocine Openeye Name: (1E)-1-nitroso-2-(3-phenylpropylsulfanyl)-5,6-dihydro-4H-3-benzothiocine CAS Name: (1E)-1-nitroso-2-(3-phenylpropylthio)-5,6-dihydro-4H-3-benzothiocin IUPAC Name: (1E)-1-nitroso-2-(3-phenylpropylsulfanyl)-5,6-dihydro-4H-3-benzothiocine Traditional Name: (1E)-1-nitroso-2-(3-phenylpropylthio)-5,6-dihydro-4H-3-benzothiocin Formula: C20H21NOS2 MolecularWeight: 355.51684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=C(SC1)SCCCC3=CC=CC=C3)N=O

Isomeric SMILES

C1CC2=CC=CC=C2/C(=C(\SC1)/SCCCC3=CC=CC=C3)/N=O

InChI

InChI=1S/C20H21NOS2/c22-21-19-18-13-5-4-11-17(18)12-7-15-24-20(19)23-14-6-10-16-8-2-1-3-9-16/h1-5,8-9,11,13H,6-7,10,12,14-15H2/b20-19+