5-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-chlorophenyl)methyl]-3-(2-furylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-[(4-chlorophenyl)methyl]-3-(2-furanylmethylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(4-chlorobenzyl)-3-(2-furfurylthio)-1H-1,2,4-triazole Formula: C14H12ClN3OS MolecularWeight: 305.78258

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSC2=NNC(=N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=COC(=C1)CSC2=NNC(=N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H12ClN3OS/c15-11-5-3-10(4-6-11)8-13-16-14(18-17-13)20-9-12-2-1-7-19-12/h1-7H,8-9H2,(H,16,17,18)