2-azanyl-6-ethyl-6-sulfanyl-8H-benzo[f]benzimidazol-7-one

Systemtic Name: 2-azanyl-6-ethyl-6-sulfanyl-8H-benzo[f]benzimidazol-7-one Openeye Name: 2-amino-6-ethyl-6-sulfanyl-8H-benzo[f]benzimidazol-7-one CAS Name: 2-amino-6-ethyl-6-mercapto-8H-benzo[f]benzimidazol-7-one IUPAC Name: 2-amino-6-ethyl-6-sulfanyl-8H-benzo[f]benzimidazol-7-one Traditional Name: 2-amino-6-ethyl-6-mercapto-8H-benzo[f]benzimidazol-7-one Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=C2C=C3C(=NC(=N3)N)C=C2CC1=O)S

Isomeric SMILES

CCC1(C=C2C=C3C(=NC(=N3)N)C=C2CC1=O)S

InChI

InChI=1S/C13H13N3OS/c1-2-13(18)6-8-4-10-9(15-12(14)16-10)3-7(8)5-11(13)17/h3-4,6,18H,2,5H2,1H3,(H2,14,16)