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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-bromobenzyl)thio]-5-cyclopropyl-1,2,4-triazole Formula: C15H16BrN3S MolecularWeight: 350.27664

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3CC3

InChI

InChI=1S/C15H16BrN3S/c1-2-8-19-14(12-6-7-12)17-18-15(19)20-10-11-4-3-5-13(16)9-11/h2-5,9,12H,1,6-8,10H2