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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrN4S/c1-4-11-25-19(16-8-6-10-18(13-16)24(2)3)22-23-20(25)26-14-15-7-5-9-17(21)12-15/h4-10,12-13H,1,11,14H2,2-3H3