4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[2-keto-2-(4-tosylpiperazino)ethyl]-1,2,4-triazole-3-carbonitrile Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NN=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NN=C3C#N

InChI

InChI=1S/C16H18N6O3S/c1-13-2-4-14(5-3-13)26(24,25)22-8-6-20(7-9-22)16(23)11-21-12-18-19-15(21)10-17/h2-5,12H,6-9,11H2,1H3