2,5-dimethyl-3-(4-nitrophenyl)thiochromen-4-one

Systemtic Name: 2,5-dimethyl-3-(4-nitrophenyl)thiochromen-4-one Openeye Name: 2,5-dimethyl-3-(4-nitrophenyl)thiochromen-4-one CAS Name: 2,5-dimethyl-3-(4-nitrophenyl)-1-benzothiopyran-4-one IUPAC Name: 2,5-dimethyl-3-(4-nitrophenyl)thiochromen-4-one Traditional Name: 2,5-dimethyl-3-(4-nitrophenyl)thiochromen-4-one Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=C(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=C(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H13NO3S/c1-10-4-3-5-14-15(10)17(19)16(11(2)22-14)12-6-8-13(9-7-12)18(20)21/h3-9H,1-2H3