3-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-5-methylsulfanyl-1,2,4-triazole hydrate

Systemtic Name: 3-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-5-methylsulfanyl-1,2,4-triazole hydrate Openeye Name: 3-(2,4-dichlorophenyl)-4-(2-furylmethyl)-5-methylsulfanyl-1,2,4-triazole hydrate CAS Name: 3-(2,4-dichlorophenyl)-4-(2-furanylmethyl)-5-(methylthio)-1,2,4-triazole hydrate IUPAC Name: 3-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-5-methylsulfanyl-1,2,4-triazole hydrate Traditional Name: 3-(2,4-dichlorophenyl)-4-(2-furfuryl)-5-(methylthio)-1,2,4-triazole hydrate Formula: C14H13Cl2N3O2S MolecularWeight: 358.24292

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CO2)C3=C(C=C(C=C3)Cl)Cl.O

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CO2)C3=C(C=C(C=C3)Cl)Cl.O

InChI

InChI=1S/C14H11Cl2N3OS.H2O/c1-21-14-18-17-13(11-5-4-9(15)7-12(11)16)19(14)8-10-3-2-6-20-10;/h2-7H,8H2,1H3;1H2