3-(2-methylfuran-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(2-methylfuran-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2-methyl-3-furyl)-5-(o-tolylmethylsulfanyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(2-methyl-3-furanyl)-5-[(2-methylphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(2-methylfuran-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-methylbenzyl)thio]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C

InChI

InChI=1S/C21H19N3OS/c1-15-8-6-7-9-17(15)14-26-21-23-22-20(19-12-13-25-16(19)2)24(21)18-10-4-3-5-11-18/h3-13H,14H2,1-2H3