3,5-bis[4-(octylsulfanylmethyl)phenyl]-1,3,5-oxadiazinane-4-thione

Systemtic Name: 3,5-bis[4-(octylsulfanylmethyl)phenyl]-1,3,5-oxadiazinane-4-thione Openeye Name: 3,5-bis[4-(octylsulfanylmethyl)phenyl]-1,3,5-oxadiazinane-4-thione CAS Name: 3,5-bis[4-[(octylthio)methyl]phenyl]-1,3,5-oxadiazinane-4-thione IUPAC Name: 3,5-bis[4-(octylsulfanylmethyl)phenyl]-1,3,5-oxadiazinane-4-thione Traditional Name: 3,5-bis[4-[(octylthio)methyl]phenyl]-1,3,5-oxadiazinane-4-thione Formula: C33H50N2OS3 MolecularWeight: 586.9579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC1=CC=C(C=C1)N2COCN(C2=S)C3=CC=C(C=C3)CSCCCCCCCC

Isomeric SMILES

CCCCCCCCSCC1=CC=C(C=C1)N2COCN(C2=S)C3=CC=C(C=C3)CSCCCCCCCC

InChI

InChI=1S/C33H50N2OS3/c1-3-5-7-9-11-13-23-38-25-29-15-19-31(20-16-29)34-27-36-28-35(33(34)37)32-21-17-30(18-22-32)26-39-24-14-12-10-8-6-4-2/h15-22H,3-14,23-28H2,1-2H3