methyl (5Z)-5-(carbamothioylhydrazinylidene)-5-phenyl-pentanoate

Systemtic Name: methyl (5Z)-5-(carbamothioylhydrazinylidene)-5-phenyl-pentanoate Openeye Name: methyl (5Z)-5-(carbamothioylhydrazono)-5-phenyl-pentanoate CAS Name: (5Z)-5-(carbamothioylhydrazinylidene)-5-phenylpentanoic acid methyl ester IUPAC Name: methyl (5Z)-5-(carbamothioylhydrazinylidene)-5-phenylpentanoate Traditional Name: (5Z)-5-phenyl-5-(thiocarbamoylhydrazono)valeric acid methyl ester Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=NNC(=S)N)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CCC/C(=N/NC(=S)N)/C1=CC=CC=C1

InChI

InChI=1S/C13H17N3O2S/c1-18-12(17)9-5-8-11(15-16-13(14)19)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H3,14,16,19)/b15-11-