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

Systemtic Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[4-allyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide CAS Name: N-[[5-[(4-chlorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide IUPAC Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide Traditional Name: N-[[4-allyl-5-[(4-chlorobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

InChI

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