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

Systemtic Name: N-tert-butyl-2-[[3-(4-methoxyphenyl)-4-(2-methylpropyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]ethanamide Openeye Name: N-tert-butyl-2-[[4-isobutyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]acetamide CAS Name: N-tert-butyl-2-[[3-(4-methoxyphenyl)-4-(2-methylpropyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide IUPAC Name: N-tert-butyl-2-[[3-(4-methoxyphenyl)-4-(2-methylpropyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide Traditional Name: N-tert-butyl-2-[[4-isobutyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]acetamide Formula: C21H33N5O2S MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN(C1=S)CN(C)CC(=O)NC(C)(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN1C(=NN(C1=S)CN(C)CC(=O)NC(C)(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H33N5O2S/c1-15(2)12-25-19(16-8-10-17(28-7)11-9-16)23-26(20(25)29)14-24(6)13-18(27)22-21(3,4)5/h8-11,15H,12-14H2,1-7H3,(H,22,27)