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

Systemtic Name: 2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-methyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[[4-methyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-methyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperazino)ethanone Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=NN=C(N2C)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=NN=C(N2C)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H25N5OS/c1-24-10-12-26(13-11-24)20(27)15-28-21-23-22-19(25(21)2)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9H,10-15H2,1-2H3