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

Systemtic Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methyl-aniline Openeye Name: N-[[4-allyl-5-[(3-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methyl-aniline CAS Name: N-[[5-[(3-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline IUPAC Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methylaniline Traditional Name: [4-allyl-5-[(3-bromobenzyl)thio]-1,2,4-triazol-3-yl]methyl-(p-tolyl)amine Formula: C20H21BrN4S MolecularWeight: 429.37654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4S/c1-3-11-25-19(13-22-18-9-7-15(2)8-10-18)23-24-20(25)26-14-16-5-4-6-17(21)12-16/h3-10,12,22H,1,11,13-14H2,2H3