4-[5-[(E)-3-chloranylprop-2-enyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(E)-3-chloranylprop-2-enyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(E)-3-chloroallyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[[(E)-3-chloroprop-2-enyl]thio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(E)-3-chloroprop-2-enyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[[(E)-3-chloroallyl]thio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C16H13ClN4S MolecularWeight: 328.81922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC=CCl)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC/C=C/Cl)C3=CC=NC=C3

InChI

InChI=1S/C16H13ClN4S/c17-9-4-12-22-16-20-19-15(13-7-10-18-11-8-13)21(16)14-5-2-1-3-6-14/h1-11H,12H2/b9-4+