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

Systemtic Name: (5S)-5-methyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboximidate Openeye Name: (5S)-5-methyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydrobenzothiophene-2-carboximidate CAS Name: (5S)-5-methyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboximidate IUPAC Name: (5S)-5-methyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboximidate Traditional Name: (5S)-5-methyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydrobenzothiophene-2-carboximidate Formula: C12H13N4OS- MolecularWeight: 261.32282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4OS/c1-7-2-3-9-8(4-7)5-10(18-9)11(17)15-12-13-6-14-16-12/h5-7H,2-4H2,1H3,(H2,13,14,15,16,17)/p-1/t7-/m0/s1