6-bromanyl-4-ethyl-3-(4-nitrophenyl)sulfanyl-chromen-2-one

Systemtic Name: 6-bromanyl-4-ethyl-3-(4-nitrophenyl)sulfanyl-chromen-2-one Openeye Name: 6-bromo-4-ethyl-3-(4-nitrophenyl)sulfanyl-chromen-2-one CAS Name: 6-bromo-4-ethyl-3-[(4-nitrophenyl)thio]-1-benzopyran-2-one IUPAC Name: 6-bromo-4-ethyl-3-(4-nitrophenyl)sulfanylchromen-2-one Traditional Name: 6-bromo-4-ethyl-3-[(4-nitrophenyl)thio]coumarin Formula: C17H12BrNO4S MolecularWeight: 406.25048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)OC2=C1C=C(C=C2)Br)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=O)OC2=C1C=C(C=C2)Br)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrNO4S/c1-2-13-14-9-10(18)3-8-15(14)23-17(20)16(13)24-12-6-4-11(5-7-12)19(21)22/h3-9H,2H2,1H3