2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-(2-pyrazin-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-(2-pyrazin-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-1-[2-(pyrazine-2-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-[2-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]-1-[2-(pyrazine-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 2-[3-nitro-4-(o-cumenylthio)phenyl]-1-(2-pyrazinoylpiperazino)prop-2-en-1-one Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNCC3C(=O)C4=NC=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNCC3C(=O)C4=NC=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O4S/c1-17(2)20-6-4-5-7-24(20)37-25-9-8-19(14-22(25)32(35)36)18(3)27(34)31-13-12-29-16-23(31)26(33)21-15-28-10-11-30-21/h4-11,14-15,17,23,29H,3,12-13,16H2,1-2H3