1-(3,5-dimethylpiperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: 1-(3,5-dimethylpiperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one Openeye Name: 1-(3,5-dimethylpiperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: 1-(3,5-dimethyl-1-piperazinyl)-2-(4-mercapto-3-nitrophenyl)-2-propen-1-one IUPAC Name: 1-(3,5-dimethylpiperazin-1-yl)-2-(3-nitro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: 1-(3,5-dimethylpiperazino)-2-(4-mercapto-3-nitro-phenyl)prop-2-en-1-one Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(N1)C)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O3S/c1-9-7-17(8-10(2)16-9)15(19)11(3)12-4-5-14(22)13(6-12)18(20)21/h4-6,9-10,16,22H,3,7-8H2,1-2H3