ethyl 1-phenyl-5-(phenyliminomethylideneamino)-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-5-(phenyliminomethylideneamino)-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-1-phenyl-5-(phenyliminomethyleneamino)pyrazole-4-carboxylate CAS Name: 1-phenyl-5-(phenyliminomethylideneamino)-3-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-1-phenyl-5-(phenyliminomethylideneamino)pyrazole-4-carboxylate Traditional Name: 3-(benzylthio)-1-phenyl-5-(phenyliminomethyleneamino)pyrazole-4-carboxylic acid ethyl ester Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C3=CC=CC=C3)N=C=NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C3=CC=CC=C3)N=C=NC4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2S/c1-2-32-26(31)23-24(28-19-27-21-14-8-4-9-15-21)30(22-16-10-5-11-17-22)29-25(23)33-18-20-12-6-3-7-13-20/h3-17H,2,18H2,1H3