3-[(4-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazole

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 3-[(4-methoxyphenyl)methylthio]-4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-(p-anisylthio)-4-(p-tolyl)-5-pyrrolidino-1,2,4-triazole Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)OC)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)OC)N4CCCC4

InChI

InChI=1S/C21H24N4OS/c1-16-5-9-18(10-6-16)25-20(24-13-3-4-14-24)22-23-21(25)27-15-17-7-11-19(26-2)12-8-17/h5-12H,3-4,13-15H2,1-2H3