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

Systemtic Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-iodanyl-aniline Openeye Name: N-[[4-allyl-5-[(3-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-iodo-aniline CAS Name: N-[[5-[(3-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-iodoaniline IUPAC Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-iodoaniline Traditional Name: [4-allyl-5-[(3-bromobenzyl)thio]-1,2,4-triazol-3-yl]methyl-(4-iodophenyl)amine Formula: C19H18BrIN4S MolecularWeight: 541.24649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrIN4S/c1-2-10-25-18(12-22-17-8-6-16(21)7-9-17)23-24-19(25)26-13-14-4-3-5-15(20)11-14/h2-9,11,22H,1,10,12-13H2