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

Systemtic Name: 2-[5-[(2-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[4-allyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(2-chlorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(2-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[4-allyl-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-3-yl]pyrazine Formula: C16H14ClN5S MolecularWeight: 343.83386

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=NC=CN=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=NC=CN=C3

InChI

InChI=1S/C16H14ClN5S/c1-2-9-22-15(14-10-18-7-8-19-14)20-21-16(22)23-11-12-5-3-4-6-13(12)17/h2-8,10H,1,9,11H2