N-(3-cyclohexylsulfanylpropyl)-3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-(cyclohexylthio)propyl]-3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCSC2CCCCC2)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCSC2CCCCC2)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N4OS/c1-19-22(23(29)25-15-10-18-30-21-13-6-3-7-14-21)24(27-16-8-9-17-27)28(26-19)20-11-4-2-5-12-20/h2,4-5,8-9,11-12,16-17,21H,3,6-7,10,13-15,18H2,1H3,(H,25,29)