4-(2-diethylaminoethyl)-5-methyl-1-phenyl-pyrazole-3-thiolate

Systemtic Name: 4-(2-diethylaminoethyl)-5-methyl-1-phenyl-pyrazole-3-thiolate Openeye Name: 4-(2-diethylaminoethyl)-5-methyl-1-phenyl-pyrazole-3-thiolate CAS Name: 4-(2-diethylaminoethyl)-5-methyl-1-phenyl-3-pyrazolethiolate IUPAC Name: 4-(2-diethylaminoethyl)-5-methyl-1-phenylpyrazole-3-thiolate Traditional Name: 4-(2-diethylaminoethyl)-5-methyl-1-phenyl-pyrazole-3-thiolate Formula: C16H22N3S- MolecularWeight: 288.43098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(N(N=C1[S-])C2=CC=CC=C2)C

Isomeric SMILES

CCN(CC)CCC1=C(N(N=C1[S-])C2=CC=CC=C2)C

InChI

InChI=1S/C16H23N3S/c1-4-18(5-2)12-11-15-13(3)19(17-16(15)20)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,17,20)/p-1