1-(benzotriazol-1-ylmethyl)-3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)urea

Systemtic Name: 1-(benzotriazol-1-ylmethyl)-3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)urea Openeye Name: 1-(benzotriazol-1-ylmethyl)-3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)urea CAS Name: 1-(1-benzotriazolylmethyl)-3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethyl-2-pyrimidinyl)urea IUPAC Name: 1-(benzotriazol-1-ylmethyl)-3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)urea Traditional Name: 1-(benzotriazol-1-ylmethyl)-3-(2-chlorophenyl)sulfonyl-1-(4,6-dimethylpyrimidin-2-yl)urea Formula: C20H18ClN7O3S MolecularWeight: 471.92002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(CN2C3=CC=CC=C3N=N2)C(=O)NS(=O)(=O)C4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(CN2C3=CC=CC=C3N=N2)C(=O)NS(=O)(=O)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C20H18ClN7O3S/c1-13-11-14(2)23-19(22-13)27(12-28-17-9-5-4-8-16(17)24-26-28)20(29)25-32(30,31)18-10-6-3-7-15(18)21/h3-11H,12H2,1-2H3,(H,25,29)