N-[(E)-2-(3-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium-6-yl)ethenyl]-N-phenyl-ethanamide

Systemtic Name: N-[(E)-2-(3-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium-6-yl)ethenyl]-N-phenyl-ethanamide Openeye Name: N-[(E)-2-(3-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium-6-yl)vinyl]-N-phenyl-acetamide CAS Name: N-[(E)-2-[3-(methylthio)-1,8a-dihydrocyclohepta[d]imidazol-3-ium-6-yl]ethenyl]-N-phenylacetamide IUPAC Name: N-[(E)-2-(3-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium-6-yl)ethenyl]-N-phenylacetamide Traditional Name: N-[(E)-2-[3-(methylthio)-1,8a-dihydrocyclohept[d]imidazol-3-ium-6-yl]vinyl]-N-phenyl-acetamide Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C=CC1=CC=C2C(C=C1)NC=[N+]2SC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N(/C=C/C1=CC=C2C(C=C1)NC=[N+]2SC)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3OS/c1-15(23)21(17-6-4-3-5-7-17)13-12-16-8-10-18-19(11-9-16)22(24-2)14-20-18/h3-14,18H,1-2H3/p+1/b13-12+