1-(3-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-(3-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: 1-(3-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(3-fluorophenyl)-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(3-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: 1-(3-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazino)phenyl]-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C25H25FN6OS MolecularWeight: 476.569003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H25FN6OS/c1-17-15-19(31-12-10-30(2)11-13-31)8-9-21(17)27-25(33)23-28-24(22-7-4-14-34-22)32(29-23)20-6-3-5-18(26)16-20/h3-9,14-16H,10-13H2,1-2H3,(H,27,33)