4-tert-butyl-7-methoxy-2-propylsulfanyl-2H-azepine

Systemtic Name: 4-tert-butyl-7-methoxy-2-propylsulfanyl-2H-azepine Openeye Name: 4-tert-butyl-7-methoxy-2-propylsulfanyl-2H-azepine CAS Name: 4-tert-butyl-7-methoxy-2-(propylthio)-2H-azepine IUPAC Name: 4-tert-butyl-7-methoxy-2-propylsulfanyl-2H-azepine Traditional Name: 4-tert-butyl-7-methoxy-2-(propylthio)-2H-azepine Formula: C14H23NOS MolecularWeight: 253.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1C=C(C=CC(=N1)OC)C(C)(C)C

Isomeric SMILES

CCCSC1C=C(C=CC(=N1)OC)C(C)(C)C

InChI

InChI=1S/C14H23NOS/c1-6-9-17-13-10-11(14(2,3)4)7-8-12(15-13)16-5/h7-8,10,13H,6,9H2,1-5H3