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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-[(5-chloro-2-methoxyphenyl)methylthio]-4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-methoxy-benzyl)thio]-4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4OS/c1-27-19-10-9-17(22)13-16(19)15-28-21-24-23-20(14-25-11-5-6-12-25)26(21)18-7-3-2-4-8-18/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3