1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(phenylsulfonyl)thiourea

Systemtic Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(phenylsulfonyl)thiourea Openeye Name: 1-(benzenesulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)thiourea CAS Name: 1-(benzenesulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)thiourea IUPAC Name: 1-(benzenesulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)thiourea Traditional Name: 1-besyl-3-(4,6-dimethoxy-s-triazin-2-yl)thiourea Formula: C12H13N5O4S2 MolecularWeight: 355.39272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=S)NS(=O)(=O)C2=CC=CC=C2)OC

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=S)NS(=O)(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C12H13N5O4S2/c1-20-10-13-9(14-11(16-10)21-2)15-12(22)17-23(18,19)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,13,14,15,16,17,22)