N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide

Systemtic Name: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide Openeye Name: N-[(E)-(4-methylsulfanylphenyl)methyleneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide CAS Name: N-[(E)-[4-(methylthio)phenyl]methylideneamino]-5-(4-octoxyphenyl)-3-pyrazolidinecarboxamide IUPAC Name: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide Traditional Name: N-[(E)-[4-(methylthio)benzylidene]amino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide Formula: C26H36N4O2S MolecularWeight: 468.65464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2CC(NN2)C(=O)NN=CC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2CC(NN2)C(=O)N/N=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C26H36N4O2S/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/h9-16,19,24-25,28-29H,3-8,17-18H2,1-2H3,(H,30,31)/b27-19+