2,6-bis[[4-(diethylamino)phenyl]sulfanyl]benzenecarbonitrile

Systemtic Name: 2,6-bis[[4-(diethylamino)phenyl]sulfanyl]benzenecarbonitrile Openeye Name: 2,6-bis[[4-(diethylamino)phenyl]sulfanyl]benzonitrile CAS Name: 2,6-bis[[4-(diethylamino)phenyl]thio]benzonitrile IUPAC Name: 2,6-bis[[4-(diethylamino)phenyl]sulfanyl]benzonitrile Traditional Name: 2,6-bis[[4-(diethylamino)phenyl]thio]benzonitrile Formula: C27H31N3S2 MolecularWeight: 461.68514

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)SC2=C(C(=CC=C2)SC3=CC=C(C=C3)N(CC)CC)C#N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)SC2=C(C(=CC=C2)SC3=CC=C(C=C3)N(CC)CC)C#N

InChI

InChI=1S/C27H31N3S2/c1-5-29(6-2)21-12-16-23(17-13-21)31-26-10-9-11-27(25(26)20-28)32-24-18-14-22(15-19-24)30(7-3)8-4/h9-19H,5-8H2,1-4H3