N-[(E)-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(E)-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(E)-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(E)-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(E)-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C27H22FN7OS MolecularWeight: 511.573283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN=CC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N/N=C/C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H22FN7OS/c1-19-30-32-27(35(19)24-10-6-3-7-11-24)37-18-25(36)31-29-16-21-17-34(23-8-4-2-5-9-23)33-26(21)20-12-14-22(28)15-13-20/h2-17H,18H2,1H3,(H,31,36)/b29-16+