2-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(phenylmethylsulfanyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(phenylmethylsulfanyl)-1,3,4-oxadiazole Openeye Name: 2-benzylsulfanyl-5-[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,4-oxadiazole CAS Name: 2-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(phenylmethylthio)-1,3,4-oxadiazole IUPAC Name: 2-benzylsulfanyl-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole Traditional Name: 2-(benzylthio)-5-[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,4-oxadiazole Formula: C18H18N2OS2 MolecularWeight: 342.47832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C3=NN=C(O3)SCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C3=NN=C(O3)SCC4=CC=CC=C4

InChI

InChI=1S/C18H18N2OS2/c1-12-7-8-15-14(9-12)10-16(23-15)17-19-20-18(21-17)22-11-13-5-3-2-4-6-13/h2-6,10,12H,7-9,11H2,1H3/t12-/m0/s1