S-[[4-chloranyl-6-(phenylcarbamoylsulfanyl)-1,3,5-triazin-2-yl]] N-phenylcarbamothioate

Systemtic Name: S-[[4-chloranyl-6-(phenylcarbamoylsulfanyl)-1,3,5-triazin-2-yl]] N-phenylcarbamothioate Openeye Name: S-[[4-chloro-6-(phenylcarbamoylsulfanyl)-1,3,5-triazin-2-yl]] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid S-[[4-[[anilino(oxo)methyl]thio]-6-chloro-1,3,5-triazin-2-yl]] ester IUPAC Name: S-[[4-chloro-6-(phenylcarbamoylsulfanyl)-1,3,5-triazin-2-yl]] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid S-[[4-chloro-6-(phenylcarbamoylthio)-s-triazin-2-yl]] ester Formula: C17H12ClN5O2S2 MolecularWeight: 417.89248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)SC2=NC(=NC(=N2)Cl)SC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)SC2=NC(=NC(=N2)Cl)SC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H12ClN5O2S2/c18-13-21-14(26-16(24)19-11-7-3-1-4-8-11)23-15(22-13)27-17(25)20-12-9-5-2-6-10-12/h1-10H,(H,19,24)(H,20,25)