2-[4-[[6-chloranyl-3-(2-methoxyethyl)-2-sulfanylidene-benzimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[6-chloranyl-3-(2-methoxyethyl)-2-sulfanylidene-benzimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[6-chloro-3-(2-methoxyethyl)-2-thioxo-benzimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[6-chloro-3-(2-methoxyethyl)-2-sulfanylidene-1-benzimidazolyl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[6-chloro-3-(2-methoxyethyl)-2-sulfanylidenebenzimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[6-chloro-3-(2-methoxyethyl)-2-thioxo-benzimidazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C21H23ClN6OS MolecularWeight: 442.96492

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Cl)N(C1=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Cl)N(C1=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C21H23ClN6OS/c1-29-11-10-27-18-3-2-17(22)13-19(18)28(21(27)30)15-25-6-8-26(9-7-25)20-12-16(14-23)4-5-24-20/h2-5,12-13H,6-11,15H2,1H3