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

Systemtic Name: 4-(furan-2-ylmethyl)-3-[(4-methylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-phenyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-[(4-methylphenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-[(4-methylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-[(4-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=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

InChI

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