3-butyl-3-ethyl-5-phenyl-2H-1-benzothiepine

Systemtic Name: 3-butyl-3-ethyl-5-phenyl-2H-1-benzothiepine Openeye Name: 3-butyl-3-ethyl-5-phenyl-2H-1-benzothiepine CAS Name: 3-butyl-3-ethyl-5-phenyl-2H-1-benzothiepin IUPAC Name: 3-butyl-3-ethyl-5-phenyl-2H-1-benzothiepine Traditional Name: 3-butyl-3-ethyl-5-phenyl-2H-1-benzothiepin Formula: C22H26S MolecularWeight: 322.50684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CSC2=CC=CC=C2C(=C1)C3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CSC2=CC=CC=C2C(=C1)C3=CC=CC=C3)CC

InChI

InChI=1S/C22H26S/c1-3-5-15-22(4-2)16-20(18-11-7-6-8-12-18)19-13-9-10-14-21(19)23-17-22/h6-14,16H,3-5,15,17H2,1-2H3