5-(4-methylsulfanylphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-methylsulfanylphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Openeye Name: 5-(4-methylsulfanylphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole CAS Name: 5-[4-(methylthio)phenyl]-3-[3-(1-pyrrolidinylmethyl)phenyl]-1H-1,2,4-triazole IUPAC Name: 5-(4-methylsulfanylphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Traditional Name: 5-[4-(methylthio)phenyl]-3-[3-(pyrrolidinomethyl)phenyl]-1H-1,2,4-triazole Formula: C20H22N4S MolecularWeight: 350.48048

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4

InChI

InChI=1S/C20H22N4S/c1-25-18-9-7-16(8-10-18)19-21-20(23-22-19)17-6-4-5-15(13-17)14-24-11-2-3-12-24/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,22,23)