(1S)-N-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[3-(phenylmethylthio)-1,2,4-thiadiazol-5-yl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[3-(benzylthio)-1,2,4-thiadiazol-5-yl]cyclohex-3-ene-1-carboxamide Formula: C16H17N3OS2 MolecularWeight: 331.45568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)NC2=NC(=NS2)SCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)NC2=NC(=NS2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H17N3OS2/c20-14(13-9-5-2-6-10-13)17-15-18-16(19-22-15)21-11-12-7-3-1-4-8-12/h1-5,7-8,13H,6,9-11H2,(H,17,18,19,20)/t13-/m1/s1