2-methyl-4-(4-nitrophenyl)-5-(propan-2-ylsulfanylmethyl)pyrazol-3-amine

Systemtic Name: 2-methyl-4-(4-nitrophenyl)-5-(propan-2-ylsulfanylmethyl)pyrazol-3-amine Openeye Name: 5-(isopropylsulfanylmethyl)-2-methyl-4-(4-nitrophenyl)pyrazol-3-amine CAS Name: 2-methyl-4-(4-nitrophenyl)-5-[(propan-2-ylthio)methyl]-3-pyrazolamine IUPAC Name: 2-methyl-4-(4-nitrophenyl)-5-(propan-2-ylsulfanylmethyl)pyrazol-3-amine Traditional Name: [5-[(isopropylthio)methyl]-2-methyl-4-(4-nitrophenyl)pyrazol-3-yl]amine Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=NN(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])N)C

Isomeric SMILES

CC(C)SCC1=NN(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])N)C

InChI

InChI=1S/C14H18N4O2S/c1-9(2)21-8-12-13(14(15)17(3)16-12)10-4-6-11(7-5-10)18(19)20/h4-7,9H,8,15H2,1-3H3