3-azanyl-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-azanyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-amino-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-amino-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-amino-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-amino-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C13H10N2OS MolecularWeight: 242.2963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)N

InChI

InChI=1S/C13H10N2OS/c14-8-5-6-12-10(7-8)15-13(16)9-3-1-2-4-11(9)17-12/h1-7H,14H2,(H,15,16)