N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[[4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-2-(2-pyridylthio)acetamide Formula: C21H23N5OS2 MolecularWeight: 425.57022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H23N5OS2/c1-3-11-26-18(13-23-19(27)15-28-20-9-4-5-10-22-20)24-25-21(26)29-14-17-8-6-7-16(2)12-17/h3-10,12H,1,11,13-15H2,2H3,(H,23,27)