3-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Openeye Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole CAS Name: 3-[(3-methoxyphenyl)methylthio]-4-methyl-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazole IUPAC Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Traditional Name: 3-(m-anisylthio)-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2C)SCC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2C)SCC3=CC(=CC=C3)OC

InChI

InChI=1S/C17H20N4OS/c1-20-9-5-7-14(20)11-16-18-19-17(21(16)2)23-12-13-6-4-8-15(10-13)22-3/h4-10H,11-12H2,1-3H3