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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-bromobenzyl)thio]-5-(2-chlorophenyl)-1,2,4-triazole Formula: C18H15BrClN3S MolecularWeight: 420.7538

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=CC=C3Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H15BrClN3S/c1-2-10-23-17(15-8-3-4-9-16(15)20)21-22-18(23)24-12-13-6-5-7-14(19)11-13/h2-9,11H,1,10,12H2