3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(3,4-dimethylphenyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(3,4-dimethylphenyl)thio]-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O3S/c1-16-3-8-20(15-17(16)2)28-14-9-21(25)23-12-10-22(11-13-23)18-4-6-19(7-5-18)24(26)27/h3-8,15H,9-14H2,1-2H3