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

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)thio]-N-[3-(methylthio)phenyl]acetamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS2/c1-3-12-25-19(13-16-8-5-4-6-9-16)23-24-21(25)28-15-20(26)22-17-10-7-11-18(14-17)27-2/h3-11,14H,1,12-13,15H2,2H3,(H,22,26)