N-(4-bromanyl-3-chloranyl-phenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-chloranyl-phenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-chloro-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-chlorophenyl)-4-(5-cyano-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-chlorophenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-chloro-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide Formula: C17H15BrClN5S MolecularWeight: 436.7565

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NC3=CC(=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NC3=CC(=C(C=C3)Br)Cl

InChI

InChI=1S/C17H15BrClN5S/c18-14-3-2-13(9-15(14)19)22-17(25)24-7-5-23(6-8-24)16-4-1-12(10-20)11-21-16/h1-4,9,11H,5-8H2,(H,22,25)