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

Systemtic Name: 4-chloranyl-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]-4-chloro-benzamide CAS Name: 4-chloro-N-[[5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-chloro-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]-4-chloro-benzamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4OS/c1-3-12-26-19(13-23-20(27)17-8-10-18(22)11-9-17)24-25-21(26)28-14-16-6-4-15(2)5-7-16/h3-11H,1,12-14H2,2H3,(H,23,27)