7-(1H-1,2,4-triazol-5-ylcarbamoyl)-2,3-dihydro-1,5-benzothiazepin-4-olate

Systemtic Name: 7-(1H-1,2,4-triazol-5-ylcarbamoyl)-2,3-dihydro-1,5-benzothiazepin-4-olate Openeye Name: 7-(1H-1,2,4-triazol-5-ylcarbamoyl)-2,3-dihydro-1,5-benzothiazepin-4-olate CAS Name: 7-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]-2,3-dihydro-1,5-benzothiazepin-4-olate IUPAC Name: 7-(1H-1,2,4-triazol-5-ylcarbamoyl)-2,3-dihydro-1,5-benzothiazepin-4-olate Traditional Name: 7-(1H-1,2,4-triazol-5-ylcarbamoyl)-2,3-dihydro-1,5-benzothiazepin-4-olate Formula: C12H10N5O2S- MolecularWeight: 288.3051

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=NC=NN3)N=C1[O-]

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=NC=NN3)N=C1[O-]

InChI

InChI=1S/C12H11N5O2S/c18-10-3-4-20-9-2-1-7(5-8(9)15-10)11(19)16-12-13-6-14-17-12/h1-2,5-6H,3-4H2,(H,15,18)(H2,13,14,16,17,19)/p-1