(1E)-1-nitroso-2-(4-phenylbutylsulfanyl)-4,5,6,7-tetrahydro-3-benzothionine

Systemtic Name: (1E)-1-nitroso-2-(4-phenylbutylsulfanyl)-4,5,6,7-tetrahydro-3-benzothionine Openeye Name: (1E)-1-nitroso-2-(4-phenylbutylsulfanyl)-4,5,6,7-tetrahydro-3-benzothionine CAS Name: (1E)-1-nitroso-2-(4-phenylbutylthio)-4,5,6,7-tetrahydro-3-benzothionin IUPAC Name: (1E)-1-nitroso-2-(4-phenylbutylsulfanyl)-4,5,6,7-tetrahydro-3-benzothionine Traditional Name: (1E)-1-nitroso-2-(4-phenylbutylthio)-4,5,6,7-tetrahydro-3-benzothionin Formula: C22H25NOS2 MolecularWeight: 383.57

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(=C(C2=CC=CC=C2C1)N=O)SCCCCC3=CC=CC=C3

Isomeric SMILES

C1CCS/C(=C(\C2=CC=CC=C2C1)/N=O)/SCCCCC3=CC=CC=C3

InChI

InChI=1S/C22H25NOS2/c24-23-21-20-15-5-4-13-19(20)14-7-9-17-26-22(21)25-16-8-6-12-18-10-2-1-3-11-18/h1-5,10-11,13,15H,6-9,12,14,16-17H2/b22-21+