N-(6-azanylhexyl)-5-ethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

Systemtic Name: N-(6-azanylhexyl)-5-ethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide Openeye Name: N-(6-aminohexyl)-5-ethyl-1-[4-(p-tolyl)thiazol-2-yl]pyrazole-4-carboxamide CAS Name: N-(6-aminohexyl)-5-ethyl-1-[4-(4-methylphenyl)-2-thiazolyl]-4-pyrazolecarboxamide IUPAC Name: N-(6-aminohexyl)-5-ethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide Traditional Name: N-(6-aminohexyl)-5-ethyl-1-[4-(p-tolyl)thiazol-2-yl]pyrazole-4-carboxamide Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NC(=CS2)C3=CC=C(C=C3)C)C(=O)NCCCCCCN

Isomeric SMILES

CCC1=C(C=NN1C2=NC(=CS2)C3=CC=C(C=C3)C)C(=O)NCCCCCCN

InChI

InChI=1S/C22H29N5OS/c1-3-20-18(21(28)24-13-7-5-4-6-12-23)14-25-27(20)22-26-19(15-29-22)17-10-8-16(2)9-11-17/h8-11,14-15H,3-7,12-13,23H2,1-2H3,(H,24,28)