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5-(3-nitrophenyl)-2,4,4-tris(propan-2-ylsulfanyl)pyrazol-3-one

5-(3-nitrophenyl)-2,4,4-tris(propan-2-ylsulfanyl)pyrazol-3-one

Systemtic Name:5-(3-nitrophenyl)-2,4,4-tris(propan-2-ylsulfanyl)pyrazol-3-one
Openeye Name:2,4,4-tris(isopropylsulfanyl)-5-(3-nitrophenyl)pyrazol-3-one
CAS Name:5-(3-nitrophenyl)-2,4,4-tris(propan-2-ylthio)-3-pyrazolone
IUPAC Name:5-(3-nitrophenyl)-2,4,4-tris(propan-2-ylsulfanyl)pyrazol-3-one
Traditional Name:2,4,4-tris(isopropylthio)-5-(3-nitrophenyl)-2-pyrazolin-3-one
Formula: C18H25N3O3S3
MolecularWeight: 427.6044
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1(C(=NN(C1=O)SC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])SC(C)C


Isomeric SMILES

CC(C)SC1(C(=NN(C1=O)SC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])SC(C)C


InChI

InChI=1S/C18H25N3O3S3/c1-11(2)25-18(26-12(3)4)16(19-20(17(18)22)27-13(5)6)14-8-7-9-15(10-14)21(23)24/h7-13H,1-6H3


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