N-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine

Systemtic Name: N-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine Openeye Name: N-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine CAS Name: N-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-N-methyl-1-[4-(1-pyrazolyl)phenyl]methanamine IUPAC Name: N-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-methyl-(4-pyrazol-1-ylbenzyl)amine Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)CN(C)CC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)CN(C)CC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H29N5O2S/c1-4-6-13-25-20(15-22-21(25)29(27,28)5-2)17-24(3)16-18-8-10-19(11-9-18)26-14-7-12-23-26/h7-12,14-15H,4-6,13,16-17H2,1-3H3