3-[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-allyl-5-[(3-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(3-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-allyl-5-[(3-bromobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C17H15BrN4S MolecularWeight: 387.2968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN4S/c1-2-9-22-16(14-6-4-8-19-11-14)20-21-17(22)23-12-13-5-3-7-15(18)10-13/h2-8,10-11H,1,9,12H2