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

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3,5-dimethylbenzyl)thio]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-15-11-16(2)13-18(12-15)14-27-22-24-23-21(20-9-10-26-17(20)3)25(22)19-7-5-4-6-8-19/h4-13H,14H2,1-3H3