3-(furan-2-yl)-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-furyl)-4-(4-methoxyphenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-furanyl)-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-4-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-furyl)-4-(4-methoxyphenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazole Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CO4

InChI

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