2,6-dimethoxy-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 2,6-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]-2,6-dimethoxy-benzamide CAS Name: 2,6-dimethoxy-N-[[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2,6-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]-2,6-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=C3OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=C(C=CC=C3OC)OC

InChI

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