2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N5O2S2/c1-16-22-23-21(26(16)14-17-6-3-2-4-7-17)30-15-19(27)24-9-11-25(12-10-24)20(28)18-8-5-13-29-18/h2-8,13H,9-12,14-15H2,1H3