6-[2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C21H15N3O3S3 MolecularWeight: 453.5571

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=C(N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=C(N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C21H15N3O3S3/c25-14(12-5-6-15-13(9-12)22-18(26)10-27-15)11-30-21-23-19(16-3-1-7-28-16)20(24-21)17-4-2-8-29-17/h1-9H,10-11H2,(H,22,26)(H,23,24)