5-[(3,4-dimethylphenyl)amino]-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(3,4-dimethylphenyl)amino]-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3,4-dimethylanilino)-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3,4-dimethylanilino)-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3,4-dimethylanilino)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3,4-dimethylanilino)-3-[[4-(2-pyridyl)piperazino]methyl]-1,3,4-thiadiazole-2-thione Formula: C20H24N6S2 MolecularWeight: 412.57476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN(C(=S)S2)CN3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN(C(=S)S2)CN3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C20H24N6S2/c1-15-6-7-17(13-16(15)2)22-19-23-26(20(27)28-19)14-24-9-11-25(12-10-24)18-5-3-4-8-21-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,23)