N-[(4-butan-2-ylphenyl)-thiophen-2-yl-methyl]-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-[(4-butan-2-ylphenyl)-thiophen-2-yl-methyl]-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(4-sec-butylphenyl)-(2-thienyl)methyl]acetamide CAS Name: N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(4-sec-butylphenyl)-(2-thienyl)methyl]acetamide Formula: C26H28N4OS2 MolecularWeight: 476.65672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=NNC3=S)C4=CC(=CC=C4)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=NNC3=S)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H28N4OS2/c1-4-18(3)19-10-12-20(13-11-19)24(22-9-6-14-33-22)27-23(31)16-30-25(28-29-26(30)32)21-8-5-7-17(2)15-21/h5-15,18,24H,4,16H2,1-3H3,(H,27,31)(H,29,32)