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

Systemtic Name: N-[1-(4-butylphenyl)-2-methyl-propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[1-(4-butylphenyl)-2-methyl-propyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[1-(4-butylphenyl)-2-methylpropyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[1-(4-butylphenyl)-2-methylpropyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[1-(4-butylphenyl)-2-methyl-propyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C22H28N4OS2 MolecularWeight: 428.61392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(C)C)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C(C)C)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C22H28N4OS2/c1-4-5-7-16-9-11-17(12-10-16)20(15(2)3)23-19(27)14-26-21(24-25-22(26)28)18-8-6-13-29-18/h6,8-13,15,20H,4-5,7,14H2,1-3H3,(H,23,27)(H,25,28)