1-[(6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium-5-yl)sulfanyl]azepan-2-one

Systemtic Name: 1-[(6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium-5-yl)sulfanyl]azepan-2-one Openeye Name: 1-[(6-phenyl-7H-imidazo[2,1-b]thiazol-4-ium-5-yl)sulfanyl]azepan-2-one CAS Name: 1-[(6-phenyl-7H-imidazo[2,1-b]thiazol-4-ium-5-yl)thio]-2-azepanone IUPAC Name: 1-[(6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium-5-yl)sulfanyl]azepan-2-one Traditional Name: 1-[(6-phenyl-7H-imidazo[2,1-b]thiazol-4-ium-5-yl)thio]azepan-2-one Formula: C17H18N3OS2+ MolecularWeight: 344.47432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)SC2=C(NC3=[N+]2C=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)SC2=C(NC3=[N+]2C=CS3)C4=CC=CC=C4

InChI

InChI=1S/C17H17N3OS2/c21-14-9-5-2-6-10-20(14)23-16-15(13-7-3-1-4-8-13)18-17-19(16)11-12-22-17/h1,3-4,7-8,11-12H,2,5-6,9-10H2/p+1