4-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazole

Systemtic Name: 4-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-(m-tolyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-[(4-methoxyphenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-(m-tolyl)-5-(p-anisylthio)-1,2,4-triazole Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21N3O2S/c1-16-5-3-6-18(13-16)21-23-24-22(25(21)14-20-7-4-12-27-20)28-15-17-8-10-19(26-2)11-9-17/h3-13H,14-15H2,1-2H3