4-pyrazin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide

Systemtic Name: 4-pyrazin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide Openeye Name: 4-pyrazin-2-yl-N-[(E)-1-(2-pyridyl)ethylideneamino]piperazine-1-carbothioamide CAS Name: 4-(2-pyrazinyl)-N-[(E)-1-(2-pyridinyl)ethylideneamino]-1-piperazinecarbothioamide IUPAC Name: 4-pyrazin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide Traditional Name: 4-pyrazin-2-yl-N-[(E)-1-(2-pyridyl)ethylideneamino]piperazine-1-carbothioamide Formula: C16H19N7S MolecularWeight: 341.43396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCN(CC1)C2=NC=CN=C2)C3=CC=CC=N3

Isomeric SMILES

C/C(=N\NC(=S)N1CCN(CC1)C2=NC=CN=C2)/C3=CC=CC=N3

InChI

InChI=1S/C16H19N7S/c1-13(14-4-2-3-5-18-14)20-21-16(24)23-10-8-22(9-11-23)15-12-17-6-7-19-15/h2-7,12H,8-11H2,1H3,(H,21,24)/b20-13+