2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-[(E)-2-phenylethenyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-[(E)-2-phenylethenyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-[(E)-styryl]-1H-1,2,4-triazole-3-thione CAS Name: 2-[(4-methylsulfonyl-1-piperazinyl)methyl]-5-[(E)-2-phenylethenyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-[(E)-2-phenylethenyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-mesylpiperazino)methyl]-5-[(E)-styryl]-1H-1,2,4-triazole-3-thione Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CN2C(=S)N=C(N2)C=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CN2C(=S)N=C(N2)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C16H21N5O2S2/c1-25(22,23)20-11-9-19(10-12-20)13-21-16(24)17-15(18-21)8-7-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,17,18,24)/b8-7+