3-[azido-(4-methylphenyl)methyl]thiochromen-4-one

Systemtic Name: 3-[azido-(4-methylphenyl)methyl]thiochromen-4-one Openeye Name: 3-[azido(p-tolyl)methyl]thiochromen-4-one CAS Name: 3-[azido-(4-methylphenyl)methyl]-1-benzothiopyran-4-one IUPAC Name: 3-[azido-(4-methylphenyl)methyl]thiochromen-4-one Traditional Name: 3-[azido(p-tolyl)methyl]thiochromen-4-one Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CSC3=CC=CC=C3C2=O)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CSC3=CC=CC=C3C2=O)N=[N+]=[N-]

InChI

InChI=1S/C17H13N3OS/c1-11-6-8-12(9-7-11)16(19-20-18)14-10-22-15-5-3-2-4-13(15)17(14)21/h2-10,16H,1H3