3-[(2,6-dimethylphenyl)-methylsulfonyl-amino]-N,N-diethyl-1,2,4-triazole-1-carboxamide

Systemtic Name: 3-[(2,6-dimethylphenyl)-methylsulfonyl-amino]-N,N-diethyl-1,2,4-triazole-1-carboxamide Openeye Name: 3-(2,6-dimethyl-N-methylsulfonyl-anilino)-N,N-diethyl-1,2,4-triazole-1-carboxamide CAS Name: 3-(2,6-dimethyl-N-methylsulfonylanilino)-N,N-diethyl-1,2,4-triazole-1-carboxamide IUPAC Name: 3-(2,6-dimethyl-N-methylsulfonylanilino)-N,N-diethyl-1,2,4-triazole-1-carboxamide Traditional Name: N,N-diethyl-3-(N-mesyl-2,6-dimethyl-anilino)-1,2,4-triazole-1-carboxamide Formula: C16H23N5O3S MolecularWeight: 365.45052

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=NC(=N1)N(C2=C(C=CC=C2C)C)S(=O)(=O)C

Isomeric SMILES

CCN(CC)C(=O)N1C=NC(=N1)N(C2=C(C=CC=C2C)C)S(=O)(=O)C

InChI

InChI=1S/C16H23N5O3S/c1-6-19(7-2)16(22)20-11-17-15(18-20)21(25(5,23)24)14-12(3)9-8-10-13(14)4/h8-11H,6-7H2,1-5H3