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

Systemtic Name: (1S)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]cyclohex-3-ene-1-carboxamide Formula: C17H16N4OS2 MolecularWeight: 356.46514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H16N4OS2/c18-10-12-6-8-13(9-7-12)11-23-17-21-20-16(24-17)19-15(22)14-4-2-1-3-5-14/h1-2,6-9,14H,3-5,11H2,(H,19,20,22)/t14-/m1/s1