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

Systemtic Name: 5-[(2-methoxyphenyl)amino]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2-methoxyanilino)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(2-methoxyanilino)-3-[(4-methylsulfonyl-1-piperazinyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2-methoxyanilino)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-mesylpiperazino)methyl]-5-(o-anisidino)-1,3,4-thiadiazole-2-thione Formula: C15H21N5O3S3 MolecularWeight: 415.55394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NN(C(=S)S2)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1NC2=NN(C(=S)S2)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C15H21N5O3S3/c1-23-13-6-4-3-5-12(13)16-14-17-20(15(24)25-14)11-18-7-9-19(10-8-18)26(2,21)22/h3-6H,7-11H2,1-2H3,(H,16,17)