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

Systemtic Name: 4-[5-[(3-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-allyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(3-chlorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(3-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-allyl-5-[(3-chlorobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C17H15ClN4S MolecularWeight: 342.8458

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=CC=NC=C3

InChI

InChI=1S/C17H15ClN4S/c1-2-10-22-16(14-6-8-19-9-7-14)20-21-17(22)23-12-13-4-3-5-15(18)11-13/h2-9,11H,1,10,12H2