2-[4-[(3-phenethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(3-phenethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(3-phenethyl-2-thioxo-benzimidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3-phenethyl-2-sulfanylidene-1-benzimidazolyl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(3-phenethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(3-phenethyl-2-thioxo-benzimidazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C26H26N6S MolecularWeight: 454.58984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3N(C2=S)CCC4=CC=CC=C4)C5=NC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3N(C2=S)CCC4=CC=CC=C4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C26H26N6S/c27-19-22-10-12-28-25(18-22)30-16-14-29(15-17-30)20-32-24-9-5-4-8-23(24)31(26(32)33)13-11-21-6-2-1-3-7-21/h1-10,12,18H,11,13-17,20H2