2H-benzotriazol-5-yl-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-[(5-phenyl-2-thienyl)methyl]piperazin-1-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazinyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-[(5-phenyl-2-thienyl)methyl]piperazino]methanone Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)C4=CC5=NNN=C5C=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)C4=CC5=NNN=C5C=C4

InChI

InChI=1S/C22H21N5OS/c28-22(17-6-8-19-20(14-17)24-25-23-19)27-12-10-26(11-13-27)15-18-7-9-21(29-18)16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,23,24,25)