4-(chloromethyl)-N,5-dimethyl-2-phenyl-N-(thiolan-3-yl)pyrazol-3-amine

Systemtic Name: 4-(chloromethyl)-N,5-dimethyl-2-phenyl-N-(thiolan-3-yl)pyrazol-3-amine Openeye Name: 4-(chloromethyl)-N,5-dimethyl-2-phenyl-N-tetrahydrothiophen-3-yl-pyrazol-3-amine CAS Name: 4-(chloromethyl)-N,5-dimethyl-2-phenyl-N-(3-thiolanyl)-3-pyrazolamine IUPAC Name: 4-(chloromethyl)-N,5-dimethyl-2-phenyl-N-(thiolan-3-yl)pyrazol-3-amine Traditional Name: [4-(chloromethyl)-5-methyl-2-phenyl-pyrazol-3-yl]-methyl-tetrahydrothiophen-3-yl-amine Formula: C16H20ClN3S MolecularWeight: 321.8681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCl)N(C)C2CCSC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CCl)N(C)C2CCSC2)C3=CC=CC=C3

InChI

InChI=1S/C16H20ClN3S/c1-12-15(10-17)16(19(2)14-8-9-21-11-14)20(18-12)13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3