N-(4-butylsulfanylphenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-butylsulfanylphenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylsulfanylphenyl)acetamide CAS Name: N-[4-(butylthio)phenyl]-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-butylsulfanylphenyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-[4-(butylthio)phenyl]acetamide Formula: C25H30N4OS2 MolecularWeight: 466.6619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C25H30N4OS2/c1-3-5-18-31-22-14-12-21(13-15-22)26-24(30)19-32-25-28-27-23(29(25)17-4-2)16-11-20-9-7-6-8-10-20/h4,6-10,12-15H,2-3,5,11,16-19H2,1H3,(H,26,30)