N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(3-methyl-2-thienyl)methyleneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(3-methyl-2-thiophenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(3-methyl-2-thienyl)methyleneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2S/c1-3-4-5-6-7-8-14-30-20-11-9-19(10-12-20)21-16-22(27-26-21)24(29)28-25-17-23-18(2)13-15-31-23/h9-13,15-17H,3-8,14H2,1-2H3,(H,26,27)(H,28,29)/b25-17+