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

Systemtic Name: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(4-methylsulfanylphenyl)methyleneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-[4-(methylthio)phenyl]methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-[4-(methylthio)benzylidene]amino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=C(C=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2S/c1-3-4-5-6-7-8-17-32-22-13-11-21(12-14-22)24-18-25(29-28-24)26(31)30-27-19-20-9-15-23(33-2)16-10-20/h9-16,18-19H,3-8,17H2,1-2H3,(H,28,29)(H,30,31)/b27-19+