4-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-(o-tolylmethylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-[(2-methylphenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-[(2-methylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-[(2-methylbenzyl)thio]-5-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(N2CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3OS/c1-16-8-5-6-11-18(16)15-26-21-23-22-20(17-9-3-2-4-10-17)24(21)14-19-12-7-13-25-19/h2-13H,14-15H2,1H3