2-[4-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[5-(tert-butylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[5-(tert-butylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazino]isonicotinonitrile Formula: C17H23N7S2 MolecularWeight: 389.54142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C17H23N7S2/c1-17(2,3)20-15-21-24(16(25)26-15)12-22-6-8-23(9-7-22)14-10-13(11-18)4-5-19-14/h4-5,10H,6-9,12H2,1-3H3,(H,20,21)