3-[2-(4-methoxyphenyl)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-methoxyphenyl)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[2-(4-methoxyphenyl)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-[2-(4-methoxyphenyl)ethylthio]-4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-methoxyphenyl)ethylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[2-(4-methoxyphenyl)ethylthio]-4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CCSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

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