1-[2,6-bis(methylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea

Systemtic Name: 1-[2,6-bis(methylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea Openeye Name: 1-[2,6-bis(methylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea CAS Name: 1-[2,6-bis(methylthio)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea IUPAC Name: 1-[2,6-bis(methylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea Traditional Name: 1-[2,6-bis(methylthio)phenyl]sulfonyl-3-(4,6-dimethoxy-s-triazin-2-yl)urea Formula: C14H17N5O5S3 MolecularWeight: 431.51028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=C2SC)SC)OC

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=C2SC)SC)OC

InChI

InChI=1S/C14H17N5O5S3/c1-23-13-16-11(17-14(18-13)24-2)15-12(20)19-27(21,22)10-8(25-3)6-5-7-9(10)26-4/h5-7H,1-4H3,(H2,15,16,17,18,19,20)