2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C25H26N6OS MolecularWeight: 458.57854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H26N6OS/c26-31-23(17-20-9-6-8-19-7-4-5-12-22(19)20)27-28-25(31)33-18-24(32)30-15-13-29(14-16-30)21-10-2-1-3-11-21/h1-12H,13-18,26H2