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

Systemtic Name: N-tert-butyl-2-[methyl-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]ethanamide Openeye Name: 2-[[4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[methyl-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]acetamide IUPAC Name: 2-[(4-benzyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]-N-tert-butylacetamide Traditional Name: 2-[[4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-tert-butyl-acetamide Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=NC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=NC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N6OS/c1-22(2,3)24-19(29)15-26(4)16-28-21(30)27(14-17-8-6-5-7-9-17)20(25-28)18-10-12-23-13-11-18/h5-13H,14-16H2,1-4H3,(H,24,29)