3-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-4-(2-furfuryl)-5-(3-methoxyphenyl)-1,2,4-triazole Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-26-17-8-4-7-15(12-17)20-23-24-21(25(20)13-18-9-5-11-27-18)28-14-16-6-2-3-10-19(16)22/h2-12H,13-14H2,1H3