4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]benzonitrile Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H16ClN3OS/c18-16-6-5-15(23-16)12-20-7-9-21(10-8-20)17(22)14-3-1-13(11-19)2-4-14/h1-6H,7-10,12H2