4-(4-methylphenyl)-3-(phenoxymethyl)-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-methylphenyl)-3-(phenoxymethyl)-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(phenoxymethyl)-4-(p-tolyl)-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-(phenoxymethyl)-5-[2-(1-pyrrolidinyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-(phenoxymethyl)-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(phenoxymethyl)-4-(p-tolyl)-5-(2-pyrrolidinoethylthio)-1,2,4-triazole Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCN3CCCC3)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCN3CCCC3)COC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-18-9-11-19(12-10-18)26-21(17-27-20-7-3-2-4-8-20)23-24-22(26)28-16-15-25-13-5-6-14-25/h2-4,7-12H,5-6,13-17H2,1H3