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

Systemtic Name: 3-methoxy-N-[[5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide CAS Name: 3-methoxy-N-[[5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methoxy-N-[[5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-4-12-26-20(14-23-21(27)18-6-5-7-19(13-18)28-3)24-25-22(26)29-15-17-10-8-16(2)9-11-17/h4-11,13H,1,12,14-15H2,2-3H3,(H,23,27)