3-[(4-bromophenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(1-methyl-2-pyrrolyl)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Formula: C18H19BrN4S MolecularWeight: 403.33926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN4S/c1-3-10-23-17(12-16-5-4-11-22(16)2)20-21-18(23)24-13-14-6-8-15(19)9-7-14/h3-9,11H,1,10,12-13H2,2H3