2-[4-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(3-phenyl-2-thioxo-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(3-phenyl-2-thioxo-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C24H26N6S MolecularWeight: 430.56844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)N(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C24H26N6S/c25-17-19-10-11-26-23(16-19)28-14-12-27(13-15-28)18-29-21-8-4-5-9-22(21)30(24(29)31)20-6-2-1-3-7-20/h1-3,6-7,10-11,16H,4-5,8-9,12-15,18H2