2-(5-methyl-1,3-benzodithiol-2-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(5-methyl-1,3-benzodithiol-2-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(5-methyl-1,3-benzodithiol-2-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(5-methyl-1,3-benzodithiol-2-yl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(5-methyl-1,3-benzodithiol-2-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(5-methyl-1,3-benzodithiol-2-yl)-1-(4-nitrophenyl)ethanone Formula: C16H13NO3S2 MolecularWeight: 331.40932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(S2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(S2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO3S2/c1-10-2-7-14-15(8-10)22-16(21-14)9-13(18)11-3-5-12(6-4-11)17(19)20/h2-8,16H,9H2,1H3