4-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-3-chloranylprop-2-enyl]sulfanyl-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-3-chloranylprop-2-enyl]sulfanyl-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-3-chloroallyl]sulfanyl-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[[(E)-3-chloroprop-2-enyl]thio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-3-chloroprop-2-enyl]sulfanyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[[(E)-3-chloroallyl]thio]-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC=CCl)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SC/C=C/Cl)C4=CC=CC=C4

InChI

InChI=1S/C19H16ClN3O2S/c20-9-4-10-26-19-22-21-18(15-5-2-1-3-6-15)23(19)12-14-7-8-16-17(11-14)25-13-24-16/h1-9,11H,10,12-13H2/b9-4+