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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(2-furylmethyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-4-(2-furanylmethyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-4-(2-furfuryl)-5-phenyl-1,2,4-triazole Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-16-10-11-17(2)19(13-16)15-27-22-24-23-21(18-7-4-3-5-8-18)25(22)14-20-9-6-12-26-20/h3-13H,14-15H2,1-2H3