N-[(E)-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methylideneamino]-2-phenyl-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[(E)-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methylideneamino]-2-phenyl-2-phenylsulfanyl-ethanamide Openeye Name: N-[(E)-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methyleneamino]-2-phenyl-2-phenylsulfanyl-acetamide CAS Name: N-[(E)-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-4-methoxyphenyl]methylideneamino]-2-phenyl-2-(phenylthio)acetamide IUPAC Name: N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-phenyl-2-phenylsulfanylacetamide Traditional Name: N-[(E)-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-benzylidene]amino]-2-phenyl-2-(phenylthio)acetamide Formula: C28H27BrN4O2S MolecularWeight: 563.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=N/NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4)OC)C)Br

InChI

InChI=1S/C28H27BrN4O2S/c1-19-26(29)20(2)33(32-19)18-23-16-21(14-15-25(23)35-3)17-30-31-28(34)27(22-10-6-4-7-11-22)36-24-12-8-5-9-13-24/h4-17,27H,18H2,1-3H3,(H,31,34)/b30-17+