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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-13-17-18-16(19(13)2)23-12-15(22)21-10-8-20(9-11-21)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3