3-[(4-methoxyphenyl)methylsulfanyl]-4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-methoxyphenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-[(4-methoxyphenyl)methylthio]-4-(phenylmethyl)-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-methoxyphenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(p-anisylthio)-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)CSC2=NN=C(N2CC3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)CN4CCCC4

InChI

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