1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[4-(1-naphthylmethyl)piperazino]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C19H21N5OS MolecularWeight: 367.46794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CSC4=NC=NN4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CSC4=NC=NN4

InChI

InChI=1S/C19H21N5OS/c25-18(13-26-19-20-14-21-22-19)24-10-8-23(9-11-24)12-16-6-3-5-15-4-1-2-7-17(15)16/h1-7,14H,8-13H2,(H,20,21,22)