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

Systemtic Name: 4-[[4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]piperazino]methyl]benzonitrile Formula: C25H22N6OS MolecularWeight: 454.54678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N6OS/c26-17-19-8-10-20(11-9-19)18-29-12-14-30(15-13-29)25(32)23-27-24(22-7-4-16-33-22)31(28-23)21-5-2-1-3-6-21/h1-11,16H,12-15,18H2