N-(3-chloranyl-4-fluoranyl-phenyl)-4-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)piperidine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[5-(2-thienyl)tetrazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(5-thiophen-2-yl-2-tetrazolyl)-1-piperidinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(5-thiophen-2-yltetrazol-2-yl)piperidine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[5-(2-thienyl)tetrazol-2-yl]piperidine-1-carbothioamide Formula: C17H16ClFN6S2 MolecularWeight: 422.930543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2N=C(N=N2)C3=CC=CS3)C(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCC1N2N=C(N=N2)C3=CC=CS3)C(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C17H16ClFN6S2/c18-13-10-11(3-4-14(13)19)20-17(26)24-7-5-12(6-8-24)25-22-16(21-23-25)15-2-1-9-27-15/h1-4,9-10,12H,5-8H2,(H,20,26)