3-(4-octoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-octoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-octoxyphenyl)-N-[(E)-2-thienylmethyleneamino]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-octoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-octoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-octoxyphenyl)-N-[(E)-2-thenylideneamino]-1H-pyrazole-5-carboxamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=CS3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CS3

InChI

InChI=1S/C23H28N4O2S/c1-2-3-4-5-6-7-14-29-19-12-10-18(11-13-19)21-16-22(26-25-21)23(28)27-24-17-20-9-8-15-30-20/h8-13,15-17H,2-7,14H2,1H3,(H,25,26)(H,27,28)/b24-17+