3-(1H-imidazol-5-ylmethyl)-1,2,5-benzothiadiazepine

Systemtic Name: 3-(1H-imidazol-5-ylmethyl)-1,2,5-benzothiadiazepine Openeye Name: 3-(1H-imidazol-5-ylmethyl)-1,2,5-benzothiadiazepine CAS Name: 3-(1H-imidazol-5-ylmethyl)-1,2,5-benzothiadiazepine IUPAC Name: 3-(1H-imidazol-5-ylmethyl)-1,2,5-benzothiadiazepine Traditional Name: 3-(1H-imidazol-5-ylmethyl)-1,2,5-benzothiadiazepine Formula: C12H10N4S MolecularWeight: 242.2996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=NS2)CC3=CN=CN3

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=NS2)CC3=CN=CN3

InChI

InChI=1S/C12H10N4S/c1-2-4-12-11(3-1)14-7-10(16-17-12)5-9-6-13-8-15-9/h1-4,6-8H,5H2,(H,13,15)