2-(3-chlorophenyl)-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 2-(3-chlorophenyl)-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2,3-triazole-4-carboxamide Openeye Name: 2-(3-chlorophenyl)-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)triazole-4-carboxamide CAS Name: 2-(3-chlorophenyl)-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-triazolecarboxamide IUPAC Name: 2-(3-chlorophenyl)-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)triazole-4-carboxamide Traditional Name: 2-(3-chlorophenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-5-methyl-triazole-4-carboxamide Formula: C18H14ClN5O3S2 MolecularWeight: 447.91846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NN(N=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H14ClN5O3S2/c1-10-16(23-24(22-10)12-5-3-4-11(19)8-12)17(25)21-18-20-14-7-6-13(29(2,26)27)9-15(14)28-18/h3-9H,1-2H3,(H,20,21,25)