1-(4-cyanophenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-cyanophenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(4-cyanophenyl)sulfonyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-cyanophenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C18H19N5O3S3 MolecularWeight: 449.57016

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H19N5O3S3/c1-2-11-27-18-22-21-17(28-18)20-16(24)14-7-9-23(10-8-14)29(25,26)15-5-3-13(12-19)4-6-15/h2-6,14H,1,7-11H2,(H,20,21,24)