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

Systemtic Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: N-[[4-allyl-5-[(3-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]aniline CAS Name: N-[[5-[(3-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: [4-allyl-5-[(3-bromobenzyl)thio]-1,2,4-triazol-3-yl]methyl-phenyl-amine Formula: C19H19BrN4S MolecularWeight: 415.34996

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)CNC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)CNC3=CC=CC=C3

InChI

InChI=1S/C19H19BrN4S/c1-2-11-24-18(13-21-17-9-4-3-5-10-17)22-23-19(24)25-14-15-7-6-8-16(20)12-15/h2-10,12,21H,1,11,13-14H2