2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3OC

InChI

InChI=1S/C17H22N6O3S/c1-12(24)21-7-9-22(10-8-21)15(25)11-27-17-20-19-16(23(17)18)13-5-3-4-6-14(13)26-2/h3-6H,7-11,18H2,1-2H3