1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea Openeye Name: 1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea CAS Name: 1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea IUPAC Name: 1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)urea Traditional Name: 1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4,6-dimethoxy-s-triazin-2-yl)urea Formula: C14H15N5O5S3 MolecularWeight: 429.4944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2SCCS3)OC

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2SCCS3)OC

InChI

InChI=1S/C14H15N5O5S3/c1-23-13-16-11(17-14(18-13)24-2)15-12(20)19-27(21,22)9-5-3-4-8-10(9)26-7-6-25-8/h3-5H,6-7H2,1-2H3,(H2,15,16,17,18,19,20)