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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-[2-methyl-4-(4-methylpiperazino)phenyl]-1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C25H26N6OS MolecularWeight: 458.57854

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6OS/c1-18-17-20(30-14-12-29(2)13-15-30)10-11-21(18)26-25(32)23-27-24(22-9-6-16-33-22)31(28-23)19-7-4-3-5-8-19/h3-11,16-17H,12-15H2,1-2H3,(H,26,32)