4-(2-methoxyethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-methoxyethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyethyl)-2-[(4-methylsulfonyl-1-piperazinyl)methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-mesylpiperazino)methyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole-3-thione Formula: C17H25N5O3S2 MolecularWeight: 411.5421

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

COCCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C17H25N5O3S2/c1-25-13-12-21-16(15-6-4-3-5-7-15)18-22(17(21)26)14-19-8-10-20(11-9-19)27(2,23)24/h3-7H,8-14H2,1-2H3