3-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C)C3=C(OC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C)C3=C(OC=C3)C

InChI

InChI=1S/C17H19N3OS/c1-11-5-6-12(2)14(9-11)10-22-17-19-18-16(20(17)4)15-7-8-21-13(15)3/h5-9H,10H2,1-4H3