3-tert-butyl-N,N-dimethyl-5-(phenylsulfonylmethylsulfanyl)-1,2,4-triazole-1-carboxamide

Systemtic Name: 3-tert-butyl-N,N-dimethyl-5-(phenylsulfonylmethylsulfanyl)-1,2,4-triazole-1-carboxamide Openeye Name: 5-(benzenesulfonylmethylsulfanyl)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide CAS Name: 5-(benzenesulfonylmethylthio)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide IUPAC Name: 5-(benzenesulfonylmethylsulfanyl)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide Traditional Name: 5-(besylmethylthio)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N1)SCS(=O)(=O)C2=CC=CC=C2)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=N1)SCS(=O)(=O)C2=CC=CC=C2)C(=O)N(C)C

InChI

InChI=1S/C16H22N4O3S2/c1-16(2,3)13-17-14(20(18-13)15(21)19(4)5)24-11-25(22,23)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3