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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclohexyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-bromophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-cyclohexyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclohexyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-bromobenzyl)thio]-5-cyclohexyl-1,2,4-triazole Formula: C18H22BrN3S MolecularWeight: 392.35638

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3CCCCC3

InChI

InChI=1S/C18H22BrN3S/c1-2-11-22-17(15-8-4-3-5-9-15)20-21-18(22)23-13-14-7-6-10-16(19)12-14/h2,6-7,10,12,15H,1,3-5,8-9,11,13H2