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

Systemtic Name: 3-(chloromethyl)-2-(4-nitrophenyl)thiochromen-4-one Openeye Name: 3-(chloromethyl)-2-(4-nitrophenyl)thiochromen-4-one CAS Name: 3-(chloromethyl)-2-(4-nitrophenyl)-1-benzothiopyran-4-one IUPAC Name: 3-(chloromethyl)-2-(4-nitrophenyl)thiochromen-4-one Traditional Name: 3-(chloromethyl)-2-(4-nitrophenyl)thiochromen-4-one Formula: C16H10ClNO3S MolecularWeight: 331.7735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])CCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])CCl

InChI

InChI=1S/C16H10ClNO3S/c17-9-13-15(19)12-3-1-2-4-14(12)22-16(13)10-5-7-11(8-6-10)18(20)21/h1-8H,9H2