5-phenylspiro[2H-1-benzothiepine-3,1'-cyclohexane]

Systemtic Name: 5-phenylspiro[2H-1-benzothiepine-3,1'-cyclohexane] Openeye Name: 5-phenylspiro[2H-1-benzothiepine-3,1'-cyclohexane] CAS Name: 5-phenylspiro[2H-1-benzothiepin-3,1'-cyclohexane] IUPAC Name: 5-phenylspiro[2H-1-benzothiepine-3,1'-cyclohexane] Traditional Name: 5-phenylspiro[2H-1-benzothiepin-3,1'-cyclohexane] Formula: C21H22S MolecularWeight: 306.46438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CSC3=CC=CC=C3C(=C2)C4=CC=CC=C4

Isomeric SMILES

C1CCC2(CC1)CSC3=CC=CC=C3C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H22S/c1-3-9-17(10-4-1)19-15-21(13-7-2-8-14-21)16-22-20-12-6-5-11-18(19)20/h1,3-6,9-12,15H,2,7-8,13-14,16H2