N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-1-mesyl-nipecotamide Formula: C17H19N5O3S3 MolecularWeight: 437.55946

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H19N5O3S3/c1-28(24,25)22-8-2-3-14(10-22)15(23)19-16-20-21-17(27-16)26-11-13-6-4-12(9-18)5-7-13/h4-7,14H,2-3,8,10-11H2,1H3,(H,19,20,23)