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

Systemtic Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2,4-dimethylphenyl)methylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2,4-dimethylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2,4-dimethylbenzyl)thio]-5-(2-furyl)-4-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(N2C3=CC=CC=C3)C4=CC=CO4)C

Isomeric SMILES

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

InChI

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