5-[(4-propan-2-ylphenyl)amino]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(4-propan-2-ylphenyl)amino]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-isopropylanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-propan-2-ylanilino)-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-propan-2-ylanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-cumidino-3-[[4-(2-pyrimidyl)piperazino]methyl]-1,3,4-thiadiazole-2-thione Formula: C20H25N7S2 MolecularWeight: 427.5894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7S2/c1-15(2)16-4-6-17(7-5-16)23-19-24-27(20(28)29-19)14-25-10-12-26(13-11-25)18-21-8-3-9-22-18/h3-9,15H,10-14H2,1-2H3,(H,23,24)