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

Systemtic Name: N-tert-butyl-2-[methyl-[[4-phenyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]ethanamide Openeye Name: 2-[(3-benzyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[methyl-[[4-phenyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]acetamide IUPAC Name: 2-[(3-benzyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]-N-tert-butylacetamide Traditional Name: 2-[(3-benzyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]-N-tert-butyl-acetamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N5OS/c1-23(2,3)24-21(29)16-26(4)17-27-22(30)28(19-13-9-6-10-14-19)20(25-27)15-18-11-7-5-8-12-18/h5-14H,15-17H2,1-4H3,(H,24,29)