1-(3-methylpiperazin-1-yl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-methylpiperazin-1-yl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)ethanone CAS Name: 1-(3-methyl-1-piperazinyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3-methylpiperazino)ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-17-15-26(13-12-23-17)21(28)16-29-22-25-24-20(14-18-8-4-2-5-9-18)27(22)19-10-6-3-7-11-19/h2-11,17,23H,12-16H2,1H3