2-methyl-1-[4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonyl]piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[oxo-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]piperazino]propan-1-one Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2S/c1-15(2)20(27)24-10-12-25(13-11-24)21(28)18-22-19(17-9-6-14-29-17)26(23-18)16-7-4-3-5-8-16/h3-9,14-15H,10-13H2,1-2H3