3-(1,3-benzodioxol-5-yl)-5-(2-chloranylprop-2-enylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(2-chloranylprop-2-enylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-(2-chloroallylsulfanyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(2-chloroprop-2-enylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(2-chloroprop-2-enylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(2-chloroallylthio)-4-phenyl-1,2,4-triazole Formula: C18H14ClN3O2S MolecularWeight: 371.84066

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

C=C(CSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C18H14ClN3O2S/c1-12(19)10-25-18-21-20-17(22(18)14-5-3-2-4-6-14)13-7-8-15-16(9-13)24-11-23-15/h2-9H,1,10-11H2