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

Systemtic Name: 3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-methylphenyl)methylthio]-5-(2-methyl-3-furanyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(2-methoxy-5-methyl-benzyl)thio]-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC3=CC=CC=C3)C4=C(OC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC3=CC=CC=C3)C4=C(OC=C4)C

InChI

InChI=1S/C23H23N3O2S/c1-16-9-10-21(27-3)19(13-16)15-29-23-25-24-22(20-11-12-28-17(20)2)26(23)14-18-7-5-4-6-8-18/h4-13H,14-15H2,1-3H3