S-(4-methyl-1,2,4-triazol-3-yl) (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbothioate

Systemtic Name: S-(4-methyl-1,2,4-triazol-3-yl) (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbothioate Openeye Name: S-(4-methyl-1,2,4-triazol-3-yl) (5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbothioate CAS Name: (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbothioic acid S-(4-methyl-1,2,4-triazol-3-yl) ester IUPAC Name: S-(4-methyl-1,2,4-triazol-3-yl) (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbothioate Traditional Name: (5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbothioic acid S-(4-methyl-1,2,4-triazol-3-yl) ester Formula: C14H17N3OS2 MolecularWeight: 307.43428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)SC3=NN=CN3C

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)C=C(S2)C(=O)SC3=NN=CN3C

InChI

InChI=1S/C14H17N3OS2/c1-3-9-4-5-11-10(6-9)7-12(19-11)13(18)20-14-16-15-8-17(14)2/h7-9H,3-6H2,1-2H3/t9-/m1/s1