(E)-3-[[2-[(2-azanyl-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-phenyl]amino]-1-phenyl-but-2-en-1-one

Systemtic Name: (E)-3-[[2-[(2-azanyl-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-phenyl]amino]-1-phenyl-but-2-en-1-one Openeye Name: (E)-3-[2-[(2-amino-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-anilino]-1-phenyl-but-2-en-1-one CAS Name: (E)-3-[2-[(2-amino-3-methyl-5-nitrophenyl)disulfanyl]-6-methyl-4-nitroanilino]-1-phenyl-2-buten-1-one IUPAC Name: (E)-3-[2-[(2-amino-3-methyl-5-nitrophenyl)disulfanyl]-6-methyl-4-nitroanilino]-1-phenylbut-2-en-1-one Traditional Name: (E)-3-[2-[(2-amino-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-anilino]-1-phenyl-but-2-en-1-one Formula: C24H22N4O5S2 MolecularWeight: 510.58528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)SSC2=C(C(=CC(=C2)[N+](=O)[O-])C)NC(=CC(=O)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1N)SSC2=C(C(=CC(=C2)[N+](=O)[O-])C)N/C(=C/C(=O)C3=CC=CC=C3)/C)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O5S2/c1-14-9-18(27(30)31)12-21(23(14)25)34-35-22-13-19(28(32)33)10-15(2)24(22)26-16(3)11-20(29)17-7-5-4-6-8-17/h4-13,26H,25H2,1-3H3/b16-11+