tert-butyl N-[4-(2-phenylhydrazinyl)-5-sulfanylidene-pyrazol-3-yl]carbamate

Systemtic Name: tert-butyl N-[4-(2-phenylhydrazinyl)-5-sulfanylidene-pyrazol-3-yl]carbamate Openeye Name: tert-butyl N-[4-(2-phenylhydrazino)-5-thioxo-pyrazol-3-yl]carbamate CAS Name: N-[4-(phenylhydrazo)-5-sulfanylidene-3-pyrazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2-phenylhydrazinyl)-5-sulfanylidenepyrazol-3-yl]carbamate Traditional Name: N-[4-(N'-phenylhydrazino)-5-thioxo-pyrazol-3-yl]carbamic acid tert-butyl ester Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C(=S)N=N1)NNC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C(=S)N=N1)NNC2=CC=CC=C2

InChI

InChI=1S/C14H17N5O2S/c1-14(2,3)21-13(20)15-11-10(12(22)19-18-11)17-16-9-7-5-4-6-8-9/h4-8,16H,1-3H3,(H2,15,17,18,19,20,22)