sodium 2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]benzenethiolate

Systemtic Name: sodium 2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]benzenethiolate Openeye Name: sodium 2-[bis(3-isopropylpyrazol-1-yl)methyl]benzenethiolate CAS Name: sodium 2-[bis(3-propan-2-yl-1-pyrazolyl)methyl]benzenethiolate IUPAC Name: sodium 2-[bis(3-propan-2-ylpyrazol-1-yl)methyl]benzenethiolate Traditional Name: sodium 2-[bis(3-isopropylpyrazol-1-yl)methyl]benzenethiolate Formula: C19H23N4NaS MolecularWeight: 362.46749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1)C(C2=CC=CC=C2[S-])N3C=CC(=N3)C(C)C.[Na+]

Isomeric SMILES

CC(C)C1=NN(C=C1)C(C2=CC=CC=C2[S-])N3C=CC(=N3)C(C)C.[Na+]

InChI

InChI=1S/C19H24N4S.Na/c1-13(2)16-9-11-22(20-16)19(15-7-5-6-8-18(15)24)23-12-10-17(21-23)14(3)4;/h5-14,19,24H,1-4H3;/q;+1/p-1