4-methyl-3-(2-methylfuran-3-yl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-(2-methyl-3-furyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-(2-methyl-3-furanyl)-5-[(2-phenoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-(2-methyl-3-furyl)-5-[(2-phenoxybenzyl)thio]-1,2,4-triazole Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c1-15-18(12-13-25-15)20-22-23-21(24(20)2)27-14-16-8-6-7-11-19(16)26-17-9-4-3-5-10-17/h3-13H,14H2,1-2H3