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

Systemtic Name: 4-butyl-5-(4-methoxyphenyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-butyl-5-(4-methoxyphenyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-butyl-5-(4-methoxyphenyl)-2-[(4-methylsulfonyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-butyl-5-(4-methoxyphenyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-butyl-2-[(4-mesylpiperazino)methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C19H29N5O3S2 MolecularWeight: 439.59526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H29N5O3S2/c1-4-5-10-23-18(16-6-8-17(27-2)9-7-16)20-24(19(23)28)15-21-11-13-22(14-12-21)29(3,25)26/h6-9H,4-5,10-15H2,1-3H3