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

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-allyl-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-allyl-5-[(4-bromobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4OS/c1-3-11-26-19(13-23-20(27)17-6-4-5-15(2)12-17)24-25-21(26)28-14-16-7-9-18(22)10-8-16/h3-10,12H,1,11,13-14H2,2H3,(H,23,27)