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

Systemtic Name: 2-[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[4-allyl-5-[(3-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(3-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[4-allyl-5-[(3-bromobenzyl)thio]-1,2,4-triazol-3-yl]pyrazine Formula: C16H14BrN5S MolecularWeight: 388.28486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN5S/c1-2-8-22-15(14-10-18-6-7-19-14)20-21-16(22)23-11-12-4-3-5-13(17)9-12/h2-7,9-10H,1,8,11H2