4-benzo[b][1]benzothiepin-2-yl-1,2,5-thiadiazol-3-one

Systemtic Name: 4-benzo[b][1]benzothiepin-2-yl-1,2,5-thiadiazol-3-one Openeye Name: 4-benzo[b][1]benzothiepin-2-yl-1,2,5-thiadiazol-3-one CAS Name: 4-(2-benzo[b][1]benzothiepinyl)-1,2,5-thiadiazol-3-one IUPAC Name: 4-benzo[b][1]benzothiepin-2-yl-1,2,5-thiadiazol-3-one Traditional Name: 4-benzo[b][1]benzothiepin-2-yl-1,2,5-thiadiazol-3-one Formula: C16H10N2OS2 MolecularWeight: 310.3934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(S2)C=C(C=C3)C4=NSNC4=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(S2)C=C(C=C3)C4=NSNC4=O

InChI

InChI=1S/C16H10N2OS2/c19-16-15(17-21-18-16)12-8-7-11-6-5-10-3-1-2-4-13(10)20-14(11)9-12/h1-9H,(H,18,19)