3-(1H-pyrazol-4-yl)-1-[4-(4-thiophen-3-yl-1,2,3-triazol-1-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(1H-pyrazol-4-yl)-1-[4-(4-thiophen-3-yl-1,2,3-triazol-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(1H-pyrazol-4-yl)-1-[4-[4-(3-thienyl)triazol-1-yl]-1-piperidyl]propan-1-one CAS Name: 3-(1H-pyrazol-4-yl)-1-[4-[4-(3-thiophenyl)-1-triazolyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(1H-pyrazol-4-yl)-1-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(1H-pyrazol-4-yl)-1-[4-[4-(3-thienyl)triazol-1-yl]piperidino]propan-1-one Formula: C17H20N6OS MolecularWeight: 356.4453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(N=N2)C3=CSC=C3)C(=O)CCC4=CNN=C4

Isomeric SMILES

C1CN(CCC1N2C=C(N=N2)C3=CSC=C3)C(=O)CCC4=CNN=C4

InChI

InChI=1S/C17H20N6OS/c24-17(2-1-13-9-18-19-10-13)22-6-3-15(4-7-22)23-11-16(20-21-23)14-5-8-25-12-14/h5,8-12,15H,1-4,6-7H2,(H,18,19)