3-(4-tert-butylphenyl)-N,N-dimethyl-5-(phenylmethylsulfanyl)-1,2,4-triazole-4-carboxamide

Systemtic Name: 3-(4-tert-butylphenyl)-N,N-dimethyl-5-(phenylmethylsulfanyl)-1,2,4-triazole-4-carboxamide Openeye Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-N,N-dimethyl-1,2,4-triazole-4-carboxamide CAS Name: 3-(4-tert-butylphenyl)-N,N-dimethyl-5-(phenylmethylthio)-1,2,4-triazole-4-carboxamide IUPAC Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-N,N-dimethyl-1,2,4-triazole-4-carboxamide Traditional Name: 3-(benzylthio)-5-(4-tert-butylphenyl)-N,N-dimethyl-1,2,4-triazole-4-carboxamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C(=O)N(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C(=O)N(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-22(2,3)18-13-11-17(12-14-18)19-23-24-20(26(19)21(27)25(4)5)28-15-16-9-7-6-8-10-16/h6-14H,15H2,1-5H3