3-[(4-fluorophenyl)methylsulfonyl]-N,N-dimethyl-1,2,4-triazole-1-carboxamide

Systemtic Name: 3-[(4-fluorophenyl)methylsulfonyl]-N,N-dimethyl-1,2,4-triazole-1-carboxamide Openeye Name: 3-[(4-fluorophenyl)methylsulfonyl]-N,N-dimethyl-1,2,4-triazole-1-carboxamide CAS Name: 3-[(4-fluorophenyl)methylsulfonyl]-N,N-dimethyl-1,2,4-triazole-1-carboxamide IUPAC Name: 3-[(4-fluorophenyl)methylsulfonyl]-N,N-dimethyl-1,2,4-triazole-1-carboxamide Traditional Name: 3-(4-fluorobenzyl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide Formula: C12H13FN4O3S MolecularWeight: 312.320023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1C=NC(=N1)S(=O)(=O)CC2=CC=C(C=C2)F

Isomeric SMILES

CN(C)C(=O)N1C=NC(=N1)S(=O)(=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C12H13FN4O3S/c1-16(2)12(18)17-8-14-11(15-17)21(19,20)7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3