2-methyl-3-(4-nitrophenyl)thiochromen-4-one

Systemtic Name: 2-methyl-3-(4-nitrophenyl)thiochromen-4-one Openeye Name: 2-methyl-3-(4-nitrophenyl)thiochromen-4-one CAS Name: 2-methyl-3-(4-nitrophenyl)-1-benzothiopyran-4-one IUPAC Name: 2-methyl-3-(4-nitrophenyl)thiochromen-4-one Traditional Name: 2-methyl-3-(4-nitrophenyl)thiochromen-4-one Formula: C16H11NO3S MolecularWeight: 297.32844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2S1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2S1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO3S/c1-10-15(11-6-8-12(9-7-11)17(19)20)16(18)13-4-2-3-5-14(13)21-10/h2-9H,1H3