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

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-[(3-methoxyphenyl)methylthio]-4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-(m-anisylthio)-4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C21H24N4OS/c1-26-19-11-7-8-17(14-19)16-27-21-23-22-20(15-24-12-5-6-13-24)25(21)18-9-3-2-4-10-18/h2-4,7-11,14H,5-6,12-13,15-16H2,1H3