N-[(4-tert-butylphenyl)methyl]-N-methyl-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-[(4-tert-butylphenyl)methyl]-N-methyl-acetamide CAS Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetamide IUPAC Name: 2-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylacetamide Traditional Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N-(4-tert-butylbenzyl)-N-methyl-acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)CC2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)CC2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-23(2,3)19-12-10-18(11-13-19)15-26(4)21(28)14-20-24-25-22(29)27(20)16-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,25,29)