2,5-dimethoxy-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 2,5-dimethoxy-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,5-dimethoxy-benzamide CAS Name: 2,5-dimethoxy-N-[[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2,5-dimethoxy-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-2,5-dimethoxy-benzamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H26N4O3S/c1-5-11-27-21(25-26-23(27)31-15-17-8-6-7-16(2)12-17)14-24-22(28)19-13-18(29-3)9-10-20(19)30-4/h5-10,12-13H,1,11,14-15H2,2-4H3,(H,24,28)