N-tert-butyl-2-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]ethanamide

Systemtic Name: N-tert-butyl-2-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]ethanamide Openeye Name: N-tert-butyl-2-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]acetamide CAS Name: N-tert-butyl-2-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methylamino]acetamide IUPAC Name: N-tert-butyl-2-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methylamino]acetamide Traditional Name: N-tert-butyl-2-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]acetamide Formula: C18H27N5OS MolecularWeight: 361.50488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN(C)CC(=O)NC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN(C)CC(=O)NC(C)(C)C

InChI

InChI=1S/C18H27N5OS/c1-6-13-7-9-14(10-8-13)16-19-17(25)23(21-16)12-22(5)11-15(24)20-18(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,20,24)(H,19,21,25)