5-[3-[4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methyl-hexyl]piperazin-1-yl]propyl]thiophene-2-carbonitrile

Systemtic Name: 5-[3-[4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methyl-hexyl]piperazin-1-yl]propyl]thiophene-2-carbonitrile Openeye Name: 5-[3-[4-[4-cyano-4-(5-isocyano-2-thienyl)-5-methyl-hexyl]piperazin-1-yl]propyl]thiophene-2-carbonitrile CAS Name: 5-[3-[4-[4-cyano-4-(5-isocyano-2-thiophenyl)-5-methylhexyl]-1-piperazinyl]propyl]-2-thiophenecarbonitrile IUPAC Name: 5-[3-[4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methylhexyl]piperazin-1-yl]propyl]thiophene-2-carbonitrile Traditional Name: 5-[3-[4-[4-cyano-4-(5-isocyano-2-thienyl)-5-methyl-hexyl]piperazino]propyl]thiophene-2-carbonitrile Formula: C25H31N5S2 MolecularWeight: 465.67714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCCC2=CC=C(S2)C#N)(C#N)C3=CC=C(S3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCCC2=CC=C(S2)C#N)(C#N)C3=CC=C(S3)[N+]#[C-]

InChI

InChI=1S/C25H31N5S2/c1-20(2)25(19-27,23-9-10-24(28-3)32-23)11-5-13-30-16-14-29(15-17-30)12-4-6-21-7-8-22(18-26)31-21/h7-10,20H,4-6,11-17H2,1-2H3