3-(4-bromophenyl)-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzylsulfanyl-5-(4-bromophenyl)-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzylthio)-5-(4-bromophenyl)-1,2,4-triazole Formula: C18H16BrN3S MolecularWeight: 386.30874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3S/c1-2-12-22-17(15-8-10-16(19)11-9-15)20-21-18(22)23-13-14-6-4-3-5-7-14/h2-11H,1,12-13H2