2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-tosylpiperazino)ethanone Formula: C16H22N6O3S2 MolecularWeight: 410.51428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=C(N3N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=C(N3N)C

InChI

InChI=1S/C16H22N6O3S2/c1-12-3-5-14(6-4-12)27(24,25)21-9-7-20(8-10-21)15(23)11-26-16-19-18-13(2)22(16)17/h3-6H,7-11,17H2,1-2H3