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

Systemtic Name: 5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole-2-thiolate Openeye Name: 5-[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,4-oxadiazole-2-thiolate CAS Name: 5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole-2-thiolate IUPAC Name: 5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole-2-thiolate Traditional Name: 5-[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,4-oxadiazole-2-thiolate Formula: C11H11N2OS2- MolecularWeight: 251.34784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C3=NN=C(O3)[S-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C3=NN=C(O3)[S-]

InChI

InChI=1S/C11H12N2OS2/c1-6-2-3-8-7(4-6)5-9(16-8)10-12-13-11(15)14-10/h5-6H,2-4H2,1H3,(H,13,15)/p-1/t6-/m0/s1