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

Systemtic Name: 5-(2-benzamidoethylsulfanyl)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide Openeye Name: 5-(2-benzamidoethylsulfanyl)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide CAS Name: 5-(2-benzamidoethylthio)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide IUPAC Name: 5-(2-benzamidoethylsulfanyl)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide Traditional Name: 5-(2-benzamidoethylthio)-3-tert-butyl-N,N-dimethyl-1,2,4-triazole-1-carboxamide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-18(2,3)15-20-16(23(21-15)17(25)22(4)5)26-12-11-19-14(24)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H,19,24)