(5S)-5-ethyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboximidate

Systemtic Name: (5S)-5-ethyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboximidate Openeye Name: (5S)-5-ethyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydrobenzothiophene-2-carboximidate CAS Name: (5S)-5-ethyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboximidate IUPAC Name: (5S)-5-ethyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboximidate Traditional Name: (5S)-5-ethyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydrobenzothiophene-2-carboximidate Formula: C13H15N4OS- MolecularWeight: 275.3494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C13H16N4OS/c1-2-8-3-4-10-9(5-8)6-11(19-10)12(18)16-13-14-7-15-17-13/h6-8H,2-5H2,1H3,(H2,14,15,16,17,18)/p-1/t8-/m0/s1